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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.

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At least 145 records · Page 8
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DOE OSTI2020

Materials Data on U2Zn17 by Materials Project

U2Zn17 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two U2Zn5 clusters and sixteen zinc molecules. In each U2Zn5 cluster, U is bonded in a bent 150 degrees geometry to two Zn atoms. There are one shorter (2.90 Å) and one longer (3.16 Å) U–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a linear geometry to two equivalent U atoms. In the second Zn site, Zn is bonded in a single-bond geometry to one Zn atom. The Zn–Zn bond length is 2.86 Å. In the third Zn site, Zn is bonded in a distorted bent 120 degrees geometry to one U and one Zn atom.

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DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is high (beta) Cristobalite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is Low Tridymite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

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DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is Keatite-like structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

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DOE OSTI2020

Materials Data on MnS2 by Materials Project

MnS2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mn4+ is bonded to four equivalent S2- atoms to form corner-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.10 Å. S2- is bonded in a bent 120 degrees geometry to two equivalent Mn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VS2 by Materials Project

VS2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. V4+ is bonded to four equivalent S2- atoms to form corner-sharing VS4 tetrahedra. All V–S bond lengths are 2.22 Å. S2- is bonded in a bent 120 degrees geometry to two equivalent V4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is quartz (beta)-like structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 is high (beta) Cristobalite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. W6+ is bonded to four equivalent N3- atoms to form corner-sharing WN4 tetrahedra. All W–N bond lengths are 1.86 Å. N3- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS2 by Materials Project

FeS2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S+1.50- atoms to form corner-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.08 Å. S+1.50- is bonded in a bent 120 degrees geometry to two equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S5N6 by Materials Project

N6S5 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four N6S5 clusters. there are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.67+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.67+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent N+1.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb2TlO7 by Materials Project

(NbO3)2TlO crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of two TlO ribbons oriented in the (1, 0, 0) direction and one NbO3 framework. In each TlO ribbon, Tl is bonded in a distorted linear geometry to two equivalent O atoms. Both Tl–O bond lengths are 2.08 Å. O is bonded in a bent 120 degrees geometry to two equivalent Tl atoms. In the NbO3 framework, there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. There is two shorter (1.97 Å) and four longer (2.02 Å) Nb–O bond length. In the second Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–39°. There are four shorter (2.00 Å) and two longer (2.01 Å) Nb–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent Nb atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Nb atoms. In the third O site, O is bonded in a distorted bent 150 degrees geometry to two Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeO2 by Materials Project

GeO2 is quartz (alpha) structured and crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Ge4+ is bonded to four equivalent O2- atoms to form corner-sharing GeO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Ge–O bond length. O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeO2 by Materials Project

GeO2 is quartz (alpha) structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ge4+ is bonded to four equivalent O2- atoms to form corner-sharing GeO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Ge–O bond length. O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pd(SN)4 by Materials Project

Pd(NS)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Pd(NS)4 clusters. Pd4+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.24 Å) and one longer (2.25 Å) Pd–S bond lengths. There are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.62 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the third N1+ site, N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the fourth N1+ site, N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Pd4+ and one N1+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Pd4+ and one N1+ atom. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to two N1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2O3 by Materials Project

Sb2O3 is diamond structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight tetraantimony hexaoxide molecules. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.01 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is low (alpha) Cristobalite structured and crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is low (alpha) Cristobalite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is low (alpha) Cristobalite structured and crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗