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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on InSb by Materials Project

InSb is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. In3+ is bonded in a bent 150 degrees geometry to two equivalent Sb3- atoms. Both In–Sb bond lengths are 3.18 Å. Sb3- is bonded to two equivalent In3+ and four equivalent Sb3- atoms to form a mixture of edge and corner-sharing SbIn2Sb4 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. There are two shorter (3.04 Å) and two longer (3.14 Å) Sb–Sb bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgTe3 by Materials Project

AgTe3 is High-temperature superconductor structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent Te1- atoms to form AgTe6 octahedra that share corners with six equivalent AgTe6 octahedra and edges with twelve equivalent TeAg2Te4 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.05 Å) and three longer (3.10 Å) Ag–Te bond lengths. Te1- is bonded to two equivalent Ag3+ and four equivalent Te1- atoms to form TeAg2Te4 octahedra that share corners with six equivalent TeAg2Te4 octahedra, edges with four equivalent AgTe6 octahedra, and edges with eight equivalent TeAg2Te4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Te–Te bond lengths are 3.07 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiO2 by Materials Project

SiO2 is High (Orthorhombic) Tridymite structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Materials Data on SiO2 by Materials Project

SiO2 is High (Orthorhombic) Tridymite structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaP by Materials Project

GaP is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ga3+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ga–P bond lengths are 2.63 Å. P3- is bonded to two equivalent Ga3+ and four equivalent P3- atoms to form a mixture of edge and corner-sharing PGa2P4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.56 Å) and two longer (2.57 Å) P–P bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsIr by Materials Project

CsIr is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs is bonded to four equivalent Cs and eight equivalent Ir atoms to form CsCs4Ir8 cuboctahedra that share corners with twelve equivalent CsCs4Ir8 cuboctahedra, edges with eight equivalent CsCs4Ir8 cuboctahedra, edges with sixteen equivalent IrCs8Ir4 cuboctahedra, faces with eight equivalent IrCs8Ir4 cuboctahedra, and faces with ten equivalent CsCs4Ir8 cuboctahedra. All Cs–Cs bond lengths are 3.18 Å. All Cs–Ir bond lengths are 3.60 Å. Ir is bonded to eight equivalent Cs and four equivalent Ir atoms to form IrCs8Ir4 cuboctahedra that share corners with twelve equivalent IrCs8Ir4 cuboctahedra, edges with eight equivalent IrCs8Ir4 cuboctahedra, edges with sixteen equivalent CsCs4Ir8 cuboctahedra, faces with eight equivalent CsCs4Ir8 cuboctahedra, and faces with ten equivalent IrCs8Ir4 cuboctahedra. All Ir–Ir bond lengths are 3.18 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlAs by Materials Project

AlAs is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Al3+ is bonded in a linear geometry to two equivalent As3- atoms. Both Al–As bond lengths are 2.67 Å. As3- is bonded to two equivalent Al3+ and four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AsAl2As4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All As–As bond lengths are 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrN2 by Materials Project

CrN2 is High (Orthorhombic) Tridymite structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.68–1.76 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.69–1.77 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ga3+ is bonded in a distorted bent 150 degrees geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.82 Å. As3- is bonded in a 6-coordinate geometry to two equivalent Ga3+ and four equivalent As3- atoms. There are two shorter (2.68 Å) and two longer (2.82 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IN2 by Materials Project

IN2 is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four nitrogen molecules and two I sheets oriented in the (0, 0, 1) direction. In each I sheet, I1- is bonded in a square co-planar geometry to four equivalent I1- atoms. All I–I bond lengths are 3.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3S by Materials Project

SH3 is High-temperature superconductor structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SH3 clusters. there are two inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S1- atom. The H–S bond length is 1.48 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S1- atom. The H–S bond length is 1.41 Å. S1- is bonded in a distorted T-shaped geometry to three H+0.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3S by Materials Project

SH3 is High-temperature superconductor structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SH3 clusters. H+0.33+ is bonded in a single-bond geometry to one S1- atom. The H–S bond length is 1.45 Å. S1- is bonded in a distorted T-shaped geometry to three equivalent H+0.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is High (Orthorhombic) Tridymite structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.72 Å) Ce–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the third Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeSb by Materials Project

GeSb is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ge3+ is bonded in a linear geometry to two equivalent Sb3- atoms. Both Ge–Sb bond lengths are 2.93 Å. Sb3- is bonded to two equivalent Ge3+ and four equivalent Sb3- atoms to form a mixture of edge and corner-sharing SbGe2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on BiAu by Materials Project

AuBi is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one AuBi ribbon oriented in the (0, 0, 1) direction. Au1- is bonded in a distorted linear geometry to two equivalent Bi1+ atoms. Both Au–Bi bond lengths are 2.85 Å. Bi1+ is bonded in a linear geometry to two equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InSb by Materials Project

InSb is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. In3+ is bonded in a linear geometry to two equivalent Sb3- atoms. Both In–Sb bond lengths are 3.11 Å. Sb3- is bonded to two equivalent In3+ and four equivalent Sb3- atoms to form a mixture of edge and corner-sharing SbIn2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.08 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnSb by Materials Project

SnSb is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sn2+ is bonded in a linear geometry to two equivalent Sb2- atoms. Both Sn–Sb bond lengths are 3.13 Å. Sb2- is bonded to two equivalent Sn2+ and four equivalent Sb2- atoms to form a mixture of edge and corner-sharing SbSn2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.07 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdSb by Materials Project

CdSb is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Cd2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb2- atoms. All Cd–Sb bond lengths are 3.18 Å. Sb2- is bonded to four equivalent Cd2+ and four equivalent Sb2- atoms to form a mixture of distorted edge and corner-sharing SbCd4Sb4 hexagonal bipyramids. There are two shorter (3.11 Å) and two longer (3.24 Å) Sb–Sb bond lengths.

36 MATERIALS SCIENCE↗