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At least 793 records · Page 44
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DOE OSTI2020

Materials Data on Si2Mo by Materials Project

MoSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Mo is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of Mo–Si bond distances ranging from 2.58–2.69 Å. Si is bonded in a 10-coordinate geometry to five equivalent Mo and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.69 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2W by Materials Project

WSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. W is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of W–Si bond distances ranging from 2.59–2.69 Å. Si is bonded in a 10-coordinate geometry to five equivalent W and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.69 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V5Te4 by Materials Project

V5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to eight equivalent V and four equivalent Te atoms to form face-sharing VV8Te4 cuboctahedra. All V–V bond lengths are 2.67 Å. All V–Te bond lengths are 2.77 Å. In the second V site, V is bonded in a 5-coordinate geometry to four V and five equivalent Te atoms. Both V–V bond lengths are 2.52 Å. There are a spread of V–Te bond distances ranging from 2.78–2.89 Å. Te is bonded in a 6-coordinate geometry to six V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiO2 by Materials Project

TiO2 is Cyanogen Chloride-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two titanium dihydroxide molecules. Ti4+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ti–O bond lengths are 1.71 Å. O2- is bonded in a single-bond geometry to one Ti4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAg2 by Materials Project

ZrAg2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded in a distorted q6 geometry to ten equivalent Ag atoms. There are eight shorter (2.97 Å) and two longer (2.98 Å) Zr–Ag bond lengths. Ag is bonded in a 10-coordinate geometry to five equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a distorted q6 geometry to ten equivalent Se2- atoms. There are eight shorter (3.08 Å) and two longer (3.27 Å) Ce–Se bond lengths. Se2- is bonded in a 10-coordinate geometry to five equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Titanium Disilicide structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Se2- atoms. There are four shorter (2.99 Å) and four longer (3.04 Å) Ce–Se bond lengths. Se2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrPd2 by Materials Project

ZrPd2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded in a distorted q6 geometry to ten equivalent Pd atoms. There are eight shorter (2.84 Å) and two longer (2.95 Å) Zr–Pd bond lengths. Pd is bonded in a 10-coordinate geometry to five equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiAu2 by Materials Project

Au2Ti is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti2+ is bonded in a distorted q6 geometry to ten equivalent Au1- atoms. There are eight shorter (2.83 Å) and two longer (2.89 Å) Ti–Au bond lengths. Au1- is bonded in a 10-coordinate geometry to five equivalent Ti2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScAg2 by Materials Project

Ag2Sc is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted q6 geometry to ten equivalent Ag atoms. There are eight shorter (2.93 Å) and two longer (3.00 Å) Sc–Ag bond lengths. Ag is bonded in a 10-coordinate geometry to five equivalent Sc and five equivalent Ag atoms. There are four shorter (2.95 Å) and one longer (2.97 Å) Ag–Ag bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuAg2 by Materials Project

Ag2Lu is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a distorted q6 geometry to ten equivalent Ag atoms. All Lu–Ag bond lengths are 3.03 Å. Ag is bonded in a 10-coordinate geometry to five equivalent Lu and five equivalent Ag atoms. There are four shorter (3.02 Å) and one longer (3.04 Å) Ag–Ag bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScCu2 by Materials Project

ScCu2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted q6 geometry to ten equivalent Cu atoms. All Sc–Cu bond lengths are 2.75 Å. Cu is bonded in a 10-coordinate geometry to five equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InAg3 by Materials Project

Ag3In is Titanium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to eight Ag and two equivalent In atoms. There are a spread of Ag–Ag bond distances ranging from 2.85–3.10 Å. Both Ag–In bond lengths are 2.97 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to ten Ag atoms. There are four shorter (3.02 Å) and two longer (3.10 Å) Ag–Ag bond lengths. In is bonded in a 10-coordinate geometry to four equivalent Ag and six equivalent In atoms. There are four shorter (3.02 Å) and two longer (3.10 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSb2 by Materials Project

MgSb2 is Titanium Disilicide-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a distorted q6 geometry to ten equivalent Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.14–3.41 Å. Sb1- is bonded in a 10-coordinate geometry to five equivalent Mg2+ and five equivalent Sb1- atoms. There are a spread of Sb–Sb bond distances ranging from 3.12–3.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti(Si3Mo)2 by Materials Project

Ti(MoSi3)2 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Ti4+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.77 Å. Mo2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Mo–Si bond distances ranging from 2.57–2.75 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to three equivalent Ti4+, two equivalent Mo2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.79 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to one Ti4+, four equivalent Mo2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.56–2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2CrSi6 by Materials Project

Ta2CrSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Ta3+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Ta–Si bond distances ranging from 2.59–2.76 Å. Cr2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Cr–Si bond distances ranging from 2.51–2.82 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to two equivalent Ta3+, three equivalent Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.50–2.78 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ta3+, one Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.61–2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaSiGe by Materials Project

TaGeSi is Titanium Disilicide-derived structured and crystallizes in the trigonal P3_212 space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to five equivalent Ge and five equivalent Si atoms. There are a spread of Ta–Ge bond distances ranging from 2.66–2.89 Å. There are a spread of Ta–Si bond distances ranging from 2.65–2.86 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Ta and five equivalent Si atoms. There are a spread of Ge–Si bond distances ranging from 2.62–2.88 Å. Si is bonded in a 10-coordinate geometry to five equivalent Ta and five equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCrSi4 by Materials Project

TiCrSi4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Ti–Si bond distances ranging from 2.54–2.71 Å. In the second Ti4+ site, Ti4+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Ti–Si bond distances ranging from 2.53–2.70 Å. In the third Ti4+ site, Ti4+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.70 Å. There are three inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Cr–Si bond distances ranging from 2.47–2.69 Å. In the second Cr4+ site, Cr4+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Cr–Si bond distances ranging from 2.52–2.69 Å. In the third Cr4+ site, Cr4+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Cr–Si bond distances ranging from 2.48–2.69 Å. There are six inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 10-coordinate geometry to one Ti4+, four Cr4+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.73 Å. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to two Ti4+, three equivalent Cr4+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.49–2.68 Å. In the third Si2- site, Si2- is bonded in a 10-coordinate geometry to one Ti4+, four Cr4+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.75 Å. In the fourth Si2- site, Si2- is bonded in a 10-coordinate geometry to four Ti4+, one Cr4+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.55–2.75 Å. In the fifth Si2- site, Si2- is bonded in a 10-coordinate geometry to three equivalent Ti4+, two Cr4+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.56–2.73 Å. In the sixth Si2- site, Si2- is bonded in a 10-coordinate geometry to four Ti4+, one Cr4+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.56–2.76 Å.

36 MATERIALS SCIENCE↗