Search NASA⌕ Search

SEARCH · Search NASA

Results for “peroxide”

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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2Cu(Cl2O)2 by Materials Project

K2CuCl4O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules and one K2CuCl4 framework. In the K2CuCl4 framework, K is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All K–Cl bond lengths are 3.37 Å. Cu is bonded in a square co-planar geometry to four equivalent Cl atoms. All Cu–Cl bond lengths are 2.28 Å. Cl is bonded in a distorted single-bond geometry to four equivalent K and one Cu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScBr3O7 by Materials Project

ScO5Br3O2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one ScO5Br3 sheet oriented in the (0, 1, 0) direction. In the ScO5Br3 sheet, Sc is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Sc–O bond distances ranging from 2.03–2.12 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Sc and one Br atom. The O–Br bond length is 1.94 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Sc and two equivalent Br atoms. Both O–Br bond lengths are 2.06 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Sc and one Br atom. The O–Br bond length is 1.78 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a distorted bent 120 degrees geometry to two O atoms. In the second Br site, Br is bonded in a linear geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KZn2Ru2C4(ClO12)2 by Materials Project

KRu2Zn2C4(O11Cl)2O2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one KRu2Zn2C4(O11Cl)2 framework. In the KRu2Zn2C4(O11Cl)2 framework, K is bonded in a 9-coordinate geometry to six O and three Cl atoms. There are a spread of K–O bond distances ranging from 2.62–2.92 Å. There are a spread of K–Cl bond distances ranging from 3.01–3.31 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a distorted square pyramidal geometry to four O and one Cl atom. All Ru–O bond lengths are 1.99 Å. The Ru–Cl bond length is 2.40 Å. In the second Ru site, Ru is bonded in a distorted square pyramidal geometry to four O and one Cl atom. There is two shorter (1.97 Å) and two longer (1.99 Å) Ru–O bond length. The Ru–Cl bond length is 2.39 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in an octahedral geometry to six O atoms. There are two shorter (2.02 Å) and four longer (2.19 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.93–2.57 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.24–1.33 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.24–1.33 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one C atom. In the second O site, O is bonded in a 3-coordinate geometry to one K, one Zn, and one O atom. The O–O bond length is 1.38 Å. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Zn, and one O atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Ru and one C atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Zn and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Ru and one C atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one K, one Ru, and one C atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Ru and one C atom. In the tenth O site, O is bonded in a single-bond geometry to one Zn atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Zn and one C atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to two equivalent K and one Ru atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to one K and one Ru atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BrO3 by Materials Project

BrO3 crystallizes in the orthorhombic Aea2 space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and four BrO ribbons oriented in the (0, 0, 1) direction. In each BrO ribbon, O is bonded in a linear geometry to two equivalent Br atoms. Both O–Br bond lengths are 1.95 Å. Br is bonded in a linear geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2P2H2CO14 by Materials Project

(UPO6)2CH2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; four methane molecules; and one UPO6 sheet oriented in the (1, 0, 0) direction. In the UPO6 sheet, there are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.32 Å. In the second U6+ site, U6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.81–2.32 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb3O14 by Materials Project

(Sb3O11)2(O2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules, two water molecules, and one Sb3O11 framework. In the Sb3O11 framework, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.93–2.22 Å. In the second Sb site, Sb is bonded to five O atoms to form SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 45–64°. There are a spread of Sb–O bond distances ranging from 1.89–2.16 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.40 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two Sb atoms. In the third O site, O is bonded in a single-bond geometry to one Sb atom. In the fourth O site, O is bonded in a water-like geometry to one Sb and one O atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the sixth O site, O is bonded in a single-bond geometry to one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdC3O10 by Materials Project

Nd(CO3)2CO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four carbon dioxide molecules; four hydrogen peroxide molecules; and one Nd(CO3)2 sheet oriented in the (0, 0, 1) direction. In the Nd(CO3)2 sheet, Nd is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Nd–O bond distances ranging from 2.27–2.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.41 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one C atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one C atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Nd and one C atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Nd and one O atom. The O–O bond length is 1.48 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one Nd, one C, and one O atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Nd and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPO4 by Materials Project

AlPO4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one hydrogen peroxide molecule and one Al4P4O15 sheet oriented in the (0, 0, 1) direction. In the Al4P4O15 sheet, there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.73–1.85 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent AlO5 trigonal bipyramids, a cornercorner with one AlO4 trigonal pyramid, and an edgeedge with one PO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.73–1.89 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form distorted AlO4 trigonal pyramids that share a cornercorner with one AlO4 tetrahedra and an edgeedge with one AlO5 trigonal bipyramid. There are a spread of Al–O bond distances ranging from 1.73–1.88 Å. In the fourth Al3+ site, Al3+ is bonded to five O2- atoms to form distorted AlO5 trigonal bipyramids that share corners with two equivalent AlO4 tetrahedra, an edgeedge with one AlO4 trigonal pyramid, and an edgeedge with one PO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.75–2.11 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.49 Å) and one longer (1.59 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.56–1.92 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 trigonal pyramids that share an edgeedge with one AlO4 tetrahedra and an edgeedge with one AlO5 trigonal bipyramid. There are a spread of P–O bond distances ranging from 1.47–1.68 Å. In the fourth P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.46–1.53 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in an L-shaped geometry to two Al3+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Al3+ atoms. In the seventh O2- site, O2- is bonded in a T-shaped geometry to two Al3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the ninth O2- site, O2- is bonded in an L-shaped geometry to one Al3+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to three Al3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ and one O2- atom. The O–O bond length is 1.48 Å. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+, one P5+, and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on O2 by Materials Project

O2 is black P structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydrogen peroxide molecules. O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuBr4(NO)2 by Materials Project

CuN2O2(Br)4 crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of four ammonia molecules, two cuprum molecules, eight hydrobromic acid molecules, and two hydrogen peroxide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KP4(CO2)4 by Materials Project

KP4(CO)4(O2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is two-dimensional and consists of eight hydrogen peroxide molecules and four KP4(CO)4 sheets oriented in the (0, 0, 1) direction. In each KP4(CO)4 sheet, K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All K–O bond lengths are 2.61 Å. C+1.25- is bonded in a 4-coordinate geometry to one C+1.25- and two equivalent P5+ atoms. The C–C bond length is 1.60 Å. Both C–P bond lengths are 1.75 Å. P5+ is bonded in a 1-coordinate geometry to two equivalent C+1.25- and one O2- atom. The P–O bond length is 1.49 Å. O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSe2NO11 by Materials Project

Gd(SeO4)2NOO2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules; two nitroxyl molecules; and one Gd(SeO4)2 sheet oriented in the (0, 0, 1) direction. In the Gd(SeO4)2 sheet, Gd is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.46 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.69 Å. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.72 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Gd and one Se atom. In the second O site, O is bonded in a single-bond geometry to one Se atom. In the third O site, O is bonded in a single-bond geometry to one Gd atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Gd and one Se atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Gd and one Se atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Gd and one Se atom. In the seventh O site, O is bonded in a single-bond geometry to one Se atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Gd and one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlCu2AsO12 by Materials Project

Cu2AlAsO10O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Cu2AlAsO10 framework. In the Cu2AlAsO10 framework, Cu is bonded in a rectangular see-saw-like geometry to five O atoms. There are a spread of Cu–O bond distances ranging from 1.80–2.70 Å. Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent AsO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.81–2.34 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.70 Å) and two longer (1.76 Å) As–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Al and one As atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one As atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Al, and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrRuO3 by Materials Project

SrRuO3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules, four ruthenium molecules, four strontium molecules, and four water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyP2(HO2)5 by Materials Project

(DyP2H5O9)2O2 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one hydrogen peroxide molecule and one DyP2H5O9 framework. In the DyP2H5O9 framework, there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.57 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.57 Å. There are four inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the third P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the fourth P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. There are ten inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fifth H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. In the sixth H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.56 Å) H–O bond length. In the seventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the eighth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the ninth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the tenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the fifth O site, O is bonded in a 2-coordinate geometry to two Dy and one P atom. In the sixth O site, O is bonded in a 2-coordinate geometry to two Dy and one P atom. In the seventh O site, O is bonded in a distorted water-like geometry to one Dy and two H atoms. In the eighth O site, O is bonded in a distorted water-like geometry to one Dy and two H atoms. In the ninth O site, O is bonded in a 1-coordinate geometry to two Dy and one P atom. In the tenth O site, O is bonded in a 1-coordinate geometry to two Dy and one P atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Dy and one P atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one Dy and one P atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Dy and one P atom. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to one Dy and one P atom. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the seventeenth O site, O is bonded in a distorted water-like geometry to one Dy and two H atoms. In the eighteenth O site, O is bonded in a distorted water-like geometry to one Dy and two H atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(NO5)2 by Materials Project

Sr(NO3)2(O2)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight hydrogen peroxide molecules and two Sr(NO3)2 ribbons oriented in the (1, 0, 1) direction. In each Sr(NO3)2 ribbon, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.73 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.32 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Sr and one N atom. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Sr and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb(Br3O)2 by Materials Project

NbBr4O2(Br)2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is zero-dimensional and consists of two bromine molecules, two hydrogen peroxide molecules, and two tetrabromoniobium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSO6 by Materials Project

CaSO4O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two CaSO4 sheets oriented in the (0, 1, 0) direction. In each CaSO4 sheet, Ca is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.48 Å. S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.48 Å) and two longer (1.51 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one S atom. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one S atom. In the third O site, O is bonded in a water-like geometry to one Ca and one S atom. In the fourth O site, O is bonded in a water-like geometry to one Ca and one S atom.

36 MATERIALS SCIENCE↗