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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on EuBi2 by Materials Project

EuBi2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Eu–Bi bond distances ranging from 3.42–3.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Eu and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.26 Å. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSi2 by Materials Project

MgSi2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.98 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to four equivalent Mg and six Si atoms. There are four shorter (2.56 Å) and two longer (2.67 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Mg and four equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrBr4 by Materials Project

ZrBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight zirconium tetrabromide molecules. Zr4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Zr–Br bond lengths are 2.49 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Zr4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Zr4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSi2 by Materials Project

MgSi2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–2.98 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to four equivalent Mg and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to five equivalent Mg and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnGe by Materials Project

ErSnGe is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to four equivalent Sn and six equivalent Ge atoms. There are two shorter (3.26 Å) and two longer (3.29 Å) Er–Sn bond lengths. There are four shorter (3.02 Å) and two longer (3.20 Å) Er–Ge bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Sn atoms. All Sn–Sn bond lengths are 2.96 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å.

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DOE OSTI2020

Materials Data on Zr2CuSi4 by Materials Project

Zr2CuSi4 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr+3.50+ sites. In the first Zr+3.50+ site, Zr+3.50+ is bonded in a 8-coordinate geometry to eight Si2- atoms. There are four shorter (2.76 Å) and four longer (2.81 Å) Zr–Si bond lengths. In the second Zr+3.50+ site, Zr+3.50+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Zr–Si bond distances ranging from 2.72–2.98 Å. Cu1+ is bonded to four equivalent Si2- atoms to form a mixture of distorted corner and edge-sharing CuSi4 tetrahedra. There are two shorter (2.41 Å) and two longer (2.42 Å) Cu–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 8-coordinate geometry to six equivalent Zr+3.50+ and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.42 Å. In the second Si2- site, Si2- is bonded in a 8-coordinate geometry to four Zr+3.50+ and four equivalent Si2- atoms. All Si–Si bond lengths are 2.61 Å. In the third Si2- site, Si2- is bonded in a 8-coordinate geometry to four Zr+3.50+ and four equivalent Si2- atoms. In the fourth Si2- site, Si2- is bonded in a 8-coordinate geometry to four equivalent Zr+3.50+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSc3Si8 by Materials Project

Sc3HfSi8 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Sc–Si bond distances ranging from 2.72–2.92 Å. In the second Sc site, Sc is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Sc–Si bond distances ranging from 2.73–2.95 Å. In the third Sc site, Sc is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Sc–Si bond distances ranging from 2.71–2.93 Å. Hf is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Hf–Si bond distances ranging from 2.72–2.98 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to six Sc and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Hf, and two equivalent Si atoms. Both Si–Si bond lengths are 2.42 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to two equivalent Sc, four equivalent Hf, and two equivalent Si atoms. In the fourth Si site, Si is bonded in a 8-coordinate geometry to six Sc and two equivalent Si atoms. In the fifth Si site, Si is bonded in a 8-coordinate geometry to two equivalent Sc, two equivalent Hf, and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å. In the sixth Si site, Si is bonded in a 8-coordinate geometry to four Sc and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å. In the seventh Si site, Si is bonded in a 8-coordinate geometry to two equivalent Sc, two equivalent Hf, and four equivalent Si atoms. In the eighth Si site, Si is bonded in a 8-coordinate geometry to four Sc and four equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSn2 by Materials Project

Sn2Tb is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.17–3.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Tb and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.01 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSnGe by Materials Project

GdSnGe is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to four equivalent Sn and six equivalent Ge atoms. There are two shorter (3.28 Å) and two longer (3.36 Å) Gd–Sn bond lengths. There are four shorter (3.08 Å) and two longer (3.25 Å) Gd–Ge bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Gd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.00 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Gd and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSnGe by Materials Project

TbSnGe is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to four equivalent Sn and six equivalent Ge atoms. There are two shorter (3.27 Å) and two longer (3.34 Å) Tb–Sn bond lengths. There are four shorter (3.04 Å) and two longer (3.23 Å) Tb–Ge bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Sn–Sn bond lengths are 2.97 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å.

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DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce4+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.96–3.52 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to six equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySnGe by Materials Project

DySnGe is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to four equivalent Sn and six equivalent Ge atoms. There are two shorter (3.27 Å) and two longer (3.31 Å) Dy–Sn bond lengths. There are four shorter (3.03 Å) and two longer (3.22 Å) Dy–Ge bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 2.96 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Dy and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeO2 by Materials Project

TeO2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TeO2 sheets oriented in the (0, 1, 0) direction. Te4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Te–O bond distances ranging from 2.19–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Te4+ atoms to form a mixture of distorted edge and corner-sharing OTe4 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Te4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSnGe by Materials Project

HoSnGe is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to four equivalent Sn and six equivalent Ge atoms. There are two shorter (3.24 Å) and two longer (3.33 Å) Ho–Sn bond lengths. There are four shorter (3.02 Å) and two longer (3.22 Å) Ho–Ge bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Ho and four equivalent Sn atoms. All Sn–Sn bond lengths are 2.96 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSi2 by Materials Project

MgSi2 is Zirconium Disilicide-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.04 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.04 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.05 Å. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.04 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.49–2.64 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.63 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.63 Å. In the fourth Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.62–2.71 Å. In the fifth Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. There are one shorter (2.68 Å) and one longer (2.70 Å) Si–Si bond lengths. In the sixth Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. Both Si–Si bond lengths are 2.49 Å. In the seventh Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. In the eighth Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSn2 by Materials Project

GdSn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Gd–Sn bond distances ranging from 3.19–3.48 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Gd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.14 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Gd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.04 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti4AlGe7 by Materials Project

Ti4AlGe7 is Zirconium Disilicide-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.82 Å. There are a spread of Ti–Ge bond distances ranging from 2.65–2.95 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.68–3.06 Å. Al is bonded in a distorted square co-planar geometry to four equivalent Ti and four equivalent Ge atoms. All Al–Ge bond lengths are 2.62 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.62 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Al atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgAu2 by Materials Project

Au2Mg is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a distorted q6 geometry to ten Au1- atoms. There are a spread of Mg–Au bond distances ranging from 2.87–2.94 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 4-coordinate geometry to four equivalent Mg2+ atoms. In the second Au1- site, Au1- is bonded in a 6-coordinate geometry to six equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗