Search NASA⌕ Search

SEARCH · Search NASA

Results for “PMMA”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nb6O15F by Materials Project

Nb6O15F crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are four inequivalent Nb sites. In the first Nb site, Nb is bonded to five O and two equivalent F atoms to form NbO5F2 pentagonal bipyramids that share corners with two equivalent NbO5F2 pentagonal bipyramids and edges with five NbO6 octahedra. There are a spread of Nb–O bond distances ranging from 2.00–2.12 Å. Both Nb–F bond lengths are 1.99 Å. In the second Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and an edgeedge with one NbO5F2 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 5–40°. There are a spread of Nb–O bond distances ranging from 1.93–2.20 Å. In the third Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and an edgeedge with one NbO5F2 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 0–40°. There are a spread of Nb–O bond distances ranging from 1.94–2.20 Å. In the fourth Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and an edgeedge with one NbO5F2 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 6–40°. There are a spread of Nb–O bond distances ranging from 1.91–2.13 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the second O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the third O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Nb atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Nb atoms. In the sixth O site, O is bonded in a trigonal planar geometry to three Nb atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Nb atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Nb atoms. In the ninth O site, O is bonded in a linear geometry to two equivalent Nb atoms. F is bonded in a linear geometry to two equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaMg by Materials Project

MgCa is Tetraauricupride structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are a spread of Ca–Mg bond distances ranging from 3.42–3.46 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi by Materials Project

MgBi is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.27–3.50 Å. Bi is bonded in a 12-coordinate geometry to eight equivalent Mg and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.27 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr7Cu2HgBiSbO15 by Materials Project

HgBiSr7Cu2SbO15 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–2.91 Å. In the third Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO6 octahedra and corners with two equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sr–O bond distances ranging from 2.47–2.70 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share a cornercorner with one CuO6 octahedra and corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Cu–O bond distances ranging from 1.89–2.37 Å. In the second Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share a cornercorner with one SbO6 octahedra and corners with three CuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–O bond distances ranging from 1.89–2.46 Å. Hg2+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (3.04 Å) Hg–O bond lengths. Bi5+ is bonded in a distorted see-saw-like geometry to four O2- atoms. All Bi–O bond lengths are 2.15 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SrO6 octahedra and corners with four CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Cu2+, and one Hg2+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Cu2+, and one Sb5+ atom to form distorted OSr4CuSb octahedra that share corners with two OSr4Cu2 octahedra, edges with two equivalent OSr4Cu2 octahedra, and faces with four OSr5Sb octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a distorted linear geometry to four Sr2+, one Cu2+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two Cu2+ atoms to form distorted OSr4Cu2 octahedra that share corners with six OSr4CuSb octahedra, edges with two equivalent OSr4CuSb octahedra, and faces with two equivalent OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+, one Hg2+, and one Bi5+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Cu2+, and one Bi5+ atom. In the seventh O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form distorted OSr4Cu2 octahedra that share corners with six OSr5Sb octahedra and faces with four OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. In the eighth O2- site, O2- is bonded to five Sr2+ and one Sb5+ atom to form distorted OSr5Sb octahedra that share corners with ten OSr4Cu2 octahedra and faces with two OSr4CuSb octahedra. The corner-sharing octahedra tilt angles range from 2–59°. In the ninth O2- site, O2- is bonded to four equivalent Sr2+, one Cu2+, and one Sb5+ atom to form distorted OSr4CuSb octahedra that share corners with six OSr4CuSb octahedra, edges with two equivalent OSr4CuSb octahedra, and faces with two equivalent OSr5Sb octahedra. The corner-sharing octahedra tilt angles range from 0–57°. In the tenth O2- site, O2- is bonded in a distorted square co-planar geometry to four Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaTiNO2 by Materials Project

LaTiO2N crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La3+ is bonded to four equivalent N3- and seven O2- atoms to form distorted LaN4O7 cuboctahedra that share corners with ten equivalent LaN4O7 cuboctahedra, edges with two equivalent LaN4O7 cuboctahedra, edges with two equivalent TiN2O4 octahedra, faces with four equivalent LaN4O7 cuboctahedra, and faces with six equivalent TiN2O4 octahedra. All La–N bond lengths are 2.84 Å. There are a spread of La–O bond distances ranging from 2.58–2.82 Å. Ti4+ is bonded to two equivalent N3- and four O2- atoms to form TiN2O4 octahedra that share corners with six equivalent TiN2O4 octahedra, edges with two equivalent LaN4O7 cuboctahedra, and faces with six equivalent LaN4O7 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–17°. Both Ti–N bond lengths are 1.93 Å. There are two shorter (1.96 Å) and two longer (2.08 Å) Ti–O bond lengths. N3- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Ti4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent La3+ and two equivalent Ti4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInNi2 by Materials Project

NdNi2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to seven Ni and six equivalent In atoms. There are a spread of Nd–Ni bond distances ranging from 2.73–3.12 Å. There are four shorter (3.33 Å) and two longer (3.40 Å) Nd–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Nd, six Ni, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing NiNd4In2Ni6 cuboctahedra. There are four shorter (2.53 Å) and two longer (2.59 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.78 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Nd, four equivalent Ni, and two equivalent In atoms. Both Ni–In bond lengths are 2.66 Å. In is bonded in a 12-coordinate geometry to six equivalent Nd and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgNCl by Materials Project

HgNCl crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to two equivalent N1- and four equivalent Cl1- atoms. Both Hg–N bond lengths are 2.08 Å. All Hg–Cl bond lengths are 3.09 Å. N1- is bonded in a bent 120 degrees geometry to two equivalent Hg2+ and four equivalent Cl1- atoms. There are two shorter (3.05 Å) and two longer (3.14 Å) N–Cl bond lengths. Cl1- is bonded in a 8-coordinate geometry to four equivalent Hg2+ and four equivalent N1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg by Materials Project

MgLa is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent La atoms. There are a spread of Mg–La bond distances ranging from 3.41–3.54 Å. La is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmInCo2 by Materials Project

SmCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Sm–Co bond distances ranging from 2.69–3.13 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sm–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Sm, six Co, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing CoSm4In2Co6 cuboctahedra. There are four shorter (2.47 Å) and two longer (2.53 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.79 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Sm, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.73 Å. In is bonded in a 12-coordinate geometry to six equivalent Sm, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgAs by Materials Project

Ag(As) is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Ag1+ and eight equivalent As1- atoms to form AgAg4As8 cuboctahedra that share corners with eight equivalent AsAg8As4 cuboctahedra, corners with ten equivalent AgAg4As8 cuboctahedra, edges with six equivalent AgAg4As8 cuboctahedra, edges with twelve equivalent AsAg8As4 cuboctahedra, faces with eight equivalent AsAg8As4 cuboctahedra, and faces with twelve equivalent AgAg4As8 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.02 Å) Ag–Ag bond lengths. There are four shorter (2.98 Å) and four longer (3.03 Å) Ag–As bond lengths. As1- is bonded to eight equivalent Ag1+ and four equivalent As1- atoms to form distorted AsAg8As4 cuboctahedra that share corners with eight equivalent AgAg4As8 cuboctahedra, corners with ten equivalent AsAg8As4 cuboctahedra, edges with six equivalent AsAg8As4 cuboctahedra, edges with twelve equivalent AgAg4As8 cuboctahedra, faces with eight equivalent AgAg4As8 cuboctahedra, and faces with twelve equivalent AsAg8As4 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.03 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb6TlCl15 by Materials Project

Nb6TlCl15 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent Nb+2.33+ sites. In the first Nb+2.33+ site, Nb+2.33+ is bonded to five Cl1- atoms to form distorted corner-sharing NbCl5 square pyramids. There are a spread of Nb–Cl bond distances ranging from 2.46–2.83 Å. In the second Nb+2.33+ site, Nb+2.33+ is bonded to five Cl1- atoms to form corner-sharing NbCl5 square pyramids. There are a spread of Nb–Cl bond distances ranging from 2.46–2.71 Å. In the third Nb+2.33+ site, Nb+2.33+ is bonded to five Cl1- atoms to form corner-sharing NbCl5 square pyramids. There are a spread of Nb–Cl bond distances ranging from 2.47–2.71 Å. In the fourth Nb+2.33+ site, Nb+2.33+ is bonded to five Cl1- atoms to form corner-sharing NbCl5 square pyramids. There are four shorter (2.49 Å) and one longer (2.69 Å) Nb–Cl bond lengths. In the fifth Nb+2.33+ site, Nb+2.33+ is bonded to five Cl1- atoms to form corner-sharing NbCl5 square pyramids. There are four shorter (2.46 Å) and one longer (2.71 Å) Nb–Cl bond lengths. Tl1+ is bonded in a distorted q6 geometry to ten Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.31–3.50 Å. There are eleven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nb+2.33+ and two equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to two Nb+2.33+ and two equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Nb+2.33+ and one Tl1+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Nb+2.33+ and one Tl1+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Nb+2.33+ and one Tl1+ atom. In the sixth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.33+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Nb+2.33+ and one Tl1+ atom. In the eighth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.33+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.33+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.33+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two Nb+2.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoInCo2 by Materials Project

HoCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ho is bonded in a 3-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Ho–Co bond distances ranging from 2.64–3.09 Å. There are four shorter (3.25 Å) and two longer (3.32 Å) Ho–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ho, six Co, and two equivalent In atoms to form a mixture of corner, edge, and face-sharing CoHo4In2Co6 cuboctahedra. There are four shorter (2.47 Å) and two longer (2.50 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.77 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Ho, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.70 Å. In is bonded in a 12-coordinate geometry to six equivalent Ho, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.28 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsZrUTe5 by Materials Project

CsUZrTe5 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Cs1+ is bonded to twelve Te2- atoms to form distorted CsTe12 cuboctahedra that share corners with two equivalent CsTe12 cuboctahedra, corners with four equivalent ZrTe6 octahedra, edges with four equivalent CsTe12 cuboctahedra, faces with two equivalent CsTe12 cuboctahedra, and faces with four equivalent ZrTe6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Cs–Te bond distances ranging from 4.00–4.30 Å. U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are six shorter (3.11 Å) and two longer (3.40 Å) U–Te bond lengths. Zr4+ is bonded to six Te2- atoms to form ZrTe6 octahedra that share corners with four equivalent CsTe12 cuboctahedra, faces with four equivalent CsTe12 cuboctahedra, and faces with two equivalent ZrTe6 octahedra. There are two shorter (2.93 Å) and four longer (2.94 Å) Zr–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, one U5+, and two equivalent Zr4+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent U5+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent U5+, and two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHf6CCl15 by Materials Project

KHf6CCl15 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. K is bonded in a distorted q6 geometry to ten Cl atoms. There are a spread of K–Cl bond distances ranging from 3.36–3.52 Å. There are five inequivalent Hf sites. In the first Hf site, Hf is bonded to one C and five Cl atoms to form a mixture of corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Hf–C bond length is 2.22 Å. There are four shorter (2.50 Å) and one longer (2.66 Å) Hf–Cl bond lengths. In the second Hf site, Hf is bonded to one C and five Cl atoms to form a mixture of corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. The Hf–C bond length is 2.23 Å. There are a spread of Hf–Cl bond distances ranging from 2.50–2.74 Å. In the third Hf site, Hf is bonded to one C and five Cl atoms to form a mixture of corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedra tilt angles range from 1–48°. The Hf–C bond length is 2.27 Å. There are a spread of Hf–Cl bond distances ranging from 2.51–2.66 Å. In the fourth Hf site, Hf is bonded to one C and five Cl atoms to form a mixture of corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Hf–C bond length is 2.22 Å. There are four shorter (2.53 Å) and one longer (2.64 Å) Hf–Cl bond lengths. In the fifth Hf site, Hf is bonded to one C and five Cl atoms to form a mixture of corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The Hf–C bond length is 2.27 Å. There are a spread of Hf–Cl bond distances ranging from 2.51–2.66 Å. There are two inequivalent C sites. In the first C site, C is bonded in an octahedral geometry to six Hf atoms. In the second C site, C is bonded in an octahedral geometry to six Hf atoms. There are eleven inequivalent Cl sites. In the first Cl site, Cl is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Hf atoms. In the second Cl site, Cl is bonded in a distorted square co-planar geometry to two equivalent K and two Hf atoms. In the third Cl site, Cl is bonded in a 3-coordinate geometry to one K and two Hf atoms. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Hf atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Hf atoms. In the sixth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Hf atoms. In the seventh Cl site, Cl is bonded in an L-shaped geometry to two equivalent Hf atoms. In the eighth Cl site, Cl is bonded in a 3-coordinate geometry to one K and two Hf atoms. In the ninth Cl site, Cl is bonded in a bent 120 degrees geometry to two Hf atoms. In the tenth Cl site, Cl is bonded in a 3-coordinate geometry to one K and two Hf atoms. In the eleventh Cl site, Cl is bonded in a 3-coordinate geometry to one K and two Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbIr by Materials Project

IrNb is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.86 Å. In the second Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra. In the second Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuAsO3 by Materials Project

CuAsO3 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one CuAsO3 sheet oriented in the (0, 1, 0) direction. Cu1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.84 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu1+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuP2(HO)4 by Materials Project

CuP2(HO)4 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one CuP2(HO)4 sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six PH2O2 tetrahedra and edges with two equivalent CuO6 octahedra. There are two shorter (1.93 Å) and four longer (2.22 Å) Cu–O bond lengths. There are two inequivalent P1+ sites. In the first P1+ site, P1+ is bonded to two equivalent H1+ and two equivalent O2- atoms to form distorted PH2O2 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. Both P–H bond lengths are 1.41 Å. Both P–O bond lengths are 1.53 Å. In the second P1+ site, P1+ is bonded to two equivalent H1+ and two equivalent O2- atoms to form distorted PH2O2 tetrahedra that share corners with two equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 50°. Both P–H bond lengths are 1.41 Å. Both P–O bond lengths are 1.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one P1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one P1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co5B16 by Materials Project

Co5B16 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are three inequivalent Co+1.20+ sites. In the first Co+1.20+ site, Co+1.20+ is bonded in a 12-coordinate geometry to twelve B+0.38- atoms. There are a spread of Co–B bond distances ranging from 1.97–2.47 Å. In the second Co+1.20+ site, Co+1.20+ is bonded in a 9-coordinate geometry to nine B+0.38- atoms. There are a spread of Co–B bond distances ranging from 2.08–2.27 Å. In the third Co+1.20+ site, Co+1.20+ is bonded to twelve B+0.38- atoms to form face-sharing CoB12 cuboctahedra. There are a spread of Co–B bond distances ranging from 2.00–2.29 Å. There are nine inequivalent B+0.38- sites. In the first B+0.38- site, B+0.38- is bonded in a 7-coordinate geometry to two equivalent Co+1.20+ and five B+0.38- atoms. There are a spread of B–B bond distances ranging from 1.66–1.88 Å. In the second B+0.38- site, B+0.38- is bonded in a 9-coordinate geometry to five Co+1.20+ and four B+0.38- atoms. There is one shorter (1.73 Å) and two longer (1.79 Å) B–B bond length. In the third B+0.38- site, B+0.38- is bonded in a 8-coordinate geometry to six Co+1.20+ and two equivalent B+0.38- atoms. Both B–B bond lengths are 1.74 Å. In the fourth B+0.38- site, B+0.38- is bonded in a 7-coordinate geometry to three Co+1.20+ and four B+0.38- atoms. There are a spread of B–B bond distances ranging from 1.64–1.85 Å. In the fifth B+0.38- site, B+0.38- is bonded in a 7-coordinate geometry to two equivalent Co+1.20+ and five B+0.38- atoms. Both B–B bond lengths are 1.83 Å. In the sixth B+0.38- site, B+0.38- is bonded in a 10-coordinate geometry to six Co+1.20+ and four B+0.38- atoms. Both B–B bond lengths are 1.76 Å. In the seventh B+0.38- site, B+0.38- is bonded in a 8-coordinate geometry to two Co+1.20+ and six B+0.38- atoms. The B–B bond length is 1.89 Å. In the eighth B+0.38- site, B+0.38- is bonded in a 8-coordinate geometry to four Co+1.20+ and four B+0.38- atoms. In the ninth B+0.38- site, B+0.38- is bonded in a 7-coordinate geometry to three Co+1.20+ and four B+0.38- atoms. The B–B bond length is 1.80 Å.

36 MATERIALS SCIENCE↗