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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on V5Sb4 by Materials Project

V5Sb4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All V–Sb bond lengths are 2.94 Å. In the second V+2.40+ site, V+2.40+ is bonded to five equivalent Sb3- atoms to form a mixture of corner and edge-sharing VSb5 square pyramids. There are a spread of V–Sb bond distances ranging from 2.68–2.72 Å. Sb3- is bonded in a 6-coordinate geometry to six V+2.40+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHg2 by Materials Project

KHg2 is Titanium Disilicide-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to twelve equivalent Hg atoms. There are a spread of K–Hg bond distances ranging from 3.69–3.99 Å. Hg is bonded in a 10-coordinate geometry to six equivalent K and four equivalent Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.12–3.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb5Te4 by Materials Project

Nb5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight equivalent Nb and four equivalent Te atoms to form distorted face-sharing NbNb8Te4 cuboctahedra. All Nb–Nb bond lengths are 2.98 Å. All Nb–Te bond lengths are 3.04 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to two equivalent Nb and five equivalent Te atoms. There are a spread of Nb–Te bond distances ranging from 2.80–2.86 Å. Te is bonded in a 6-coordinate geometry to six Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr5Te4 by Materials Project

Zr5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted square co-planar geometry to four equivalent Te atoms. All Zr–Te bond lengths are 3.11 Å. In the second Zr site, Zr is bonded to five equivalent Te atoms to form a mixture of distorted edge and corner-sharing ZrTe5 trigonal bipyramids. There are two shorter (2.94 Å) and three longer (2.95 Å) Zr–Te bond lengths. Te is bonded in a distorted hexagonal planar geometry to six Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbGe2 by Materials Project

NbGe2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nb is bonded in a 10-coordinate geometry to ten equivalent Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.71–2.92 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Nb and five equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.69–2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaTiO3 by Materials Project

BaTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one titanium molecule and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.32 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaSi2 by Materials Project

TaSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Ta is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of Ta–Si bond distances ranging from 2.62–2.84 Å. Si is bonded in a 10-coordinate geometry to five equivalent Ta and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge2W by Materials Project

WGe2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. W is bonded in a distorted q6 geometry to ten equivalent Ge atoms. There are eight shorter (2.72 Å) and two longer (2.80 Å) W–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to five equivalent W and five equivalent Ge atoms. There are one shorter (2.70 Å) and four longer (2.77 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiS4(NCl)4 by Materials Project

TiCl4(NS)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four titanium tetrachloride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiGe2 by Materials Project

TiGe2 is Titanium Disilicide structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to ten equivalent Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.65–2.93 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Ti and five equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.66–2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga2Os by Materials Project

OsGa2 is Titanium Disilicide structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Os is bonded in a 10-coordinate geometry to ten equivalent Ga atoms. There are four shorter (2.59 Å) and six longer (2.77 Å) Os–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Os and five equivalent Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.60–2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PNCl2 by Materials Project

PNCl2 is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of eight 14939-36-7 molecules. P5+ is bonded in a distorted trigonal planar geometry to one N3- and two Cl1- atoms. The P–N bond length is 1.50 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2Os by Materials Project

OsAl2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded in a 10-coordinate geometry to ten equivalent Al atoms. There are eight shorter (2.62 Å) and two longer (2.82 Å) Os–Al bond lengths. Al is bonded in a 10-coordinate geometry to five equivalent Os and five equivalent Al atoms. There are four shorter (2.69 Å) and one longer (2.70 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti5Te4 by Materials Project

Ti5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to eight equivalent Ti and four equivalent Te atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent TiTi2Te5 square pyramids, edges with eight equivalent TiTi2Te5 square pyramids, and faces with two equivalent TiTi8Te4 cuboctahedra. All Ti–Ti bond lengths are 2.95 Å. All Ti–Te bond lengths are 2.92 Å. In the second Ti site, Ti is bonded to two equivalent Ti and five equivalent Te atoms to form distorted TiTi2Te5 square pyramids that share a cornercorner with one TiTi8Te4 cuboctahedra, corners with six equivalent TiTi2Te5 square pyramids, edges with two equivalent TiTi8Te4 cuboctahedra, edges with seven equivalent TiTi2Te5 square pyramids, and faces with four equivalent TiTi2Te5 square pyramids. There are four shorter (2.79 Å) and one longer (2.80 Å) Ti–Te bond lengths. Te is bonded in a 6-coordinate geometry to six Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrSn2 by Materials Project

ZrSn2 is Titanium Disilicide structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Zr is bonded in a 10-coordinate geometry to ten equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.99–3.30 Å. Sn is bonded in a 10-coordinate geometry to five equivalent Zr and five equivalent Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.00–3.28 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaGe2 by Materials Project

TaGe2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to ten equivalent Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.70–2.91 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Ta and five equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.68–2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta5As4 by Materials Project

Ta5As4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent As atoms. There are a spread of Ta–As bond distances ranging from 2.65–2.69 Å. In the second Ta site, Ta is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Ta–As bond lengths are 2.87 Å. As is bonded in a 6-coordinate geometry to six Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrSi2 by Materials Project

CrSi2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cr is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are eight shorter (2.50 Å) and two longer (2.54 Å) Cr–Si bond lengths. Si is bonded in a 10-coordinate geometry to five equivalent Cr and five equivalent Si atoms. There are one shorter (2.46 Å) and four longer (2.54 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗