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At least 1,459 records · Page 81
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DOE OSTI2020

Materials Data on HoSnPt by Materials Project

HoPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. All Ho–Pt bond lengths are 3.04 Å. There are two shorter (3.22 Å) and four longer (3.34 Å) Ho–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.82 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Pt atoms.

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Materials Data on HoZn3 by Materials Project

HoZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to fourteen Zn atoms. There are a spread of Ho–Zn bond distances ranging from 2.98–3.44 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Ho and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.81 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Ho and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–3.06 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Ho and five Zn atoms.

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DOE OSTI2020

Materials Data on LaTlPd by Materials Project

LaPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.16 Å) and one longer (3.29 Å) La–Pd bond lengths. There are two shorter (3.36 Å) and four longer (3.52 Å) La–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.89 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Tl atoms. All Pd–Tl bond lengths are 3.03 Å. Tl is bonded in a 10-coordinate geometry to six equivalent La and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuMn5 by Materials Project

LuMn5 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to sixteen Mn atoms. There are a spread of Lu–Mn bond distances ranging from 2.81–2.98 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Lu and nine Mn atoms to form a mixture of distorted corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.36–2.89 Å. In the second Mn site, Mn is bonded to three equivalent Lu and nine Mn atoms to form a mixture of corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. All Mn–Mn bond lengths are 2.86 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Lu and twelve Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr6Mg23 by Materials Project

Mg23Sr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to twelve Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.62–3.78 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted q6 geometry to three equivalent Sr and nine Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.23 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.16 Å. In the third Mg site, Mg is bonded to four equivalent Sr and eight Mg atoms to form a mixture of corner and face-sharing MgSr4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Sr and seven Mg atoms.

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DOE OSTI2020

Materials Data on NdTlPd by Materials Project

NdPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.12 Å) and one longer (3.24 Å) Nd–Pd bond lengths. There are two shorter (3.30 Å) and four longer (3.46 Å) Nd–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.87 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.99 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Nd and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdZn11 by Materials Project

NdZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are eight shorter (3.28 Å) and ten longer (3.42 Å) Nd–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.80 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Nd and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.99 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Nd and twelve Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbTlPd by Materials Project

TbPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.07 Å) and one longer (3.17 Å) Tb–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.38 Å) Tb–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.93 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.

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DOE OSTI2020

Materials Data on YZn3 by Materials Project

YZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to fourteen Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.00–3.45 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Y and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.81 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Y and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.10 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Y and five Zn atoms.

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Materials Data on K4Ge9O20 by Materials Project

K4Ge9O20 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.11 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ge–O bond lengths are 1.77 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–62°. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three equivalent GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Ge4+ atoms.

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Materials Data on Tl2TeI6 by Materials Project

Tl2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.54–3.93 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.98 Å) and two longer (2.99 Å) Te–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ atom.

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Materials Data on Tb2Te4O11 by Materials Project

Tb2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.60 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.34 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.60 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two Te4+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2Te4O11 by Materials Project

Eu2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.75 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.35 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.61 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two Te4+ atoms.

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DOE OSTI2020

Materials Data on La2Te4O11 by Materials Project

La2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.76 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.46 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.75 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Te4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScInPt by Materials Project

ScPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (2.93 Å) and one longer (3.04 Å) Sc–Pt bond lengths. There are two shorter (3.06 Å) and four longer (3.22 Å) Sc–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent In atoms. All Pt–In bond lengths are 2.80 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent In atoms. All Pt–In bond lengths are 2.74 Å. In is bonded in a 10-coordinate geometry to six equivalent Sc and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnRh by Materials Project

ErRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (2.98 Å) and one longer (3.07 Å) Er–Rh bond lengths. There are two shorter (3.14 Å) and four longer (3.29 Å) Er–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.75 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.84 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInRh by Materials Project

NdRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.08 Å) and one longer (3.16 Å) Nd–Rh bond lengths. There are two shorter (3.29 Å) and four longer (3.43 Å) Nd–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent In atoms. All Rh–In bond lengths are 2.78 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent In atoms. All Rh–In bond lengths are 2.93 Å. In is bonded in a 4-coordinate geometry to six equivalent Nd and four Rh atoms.

36 MATERIALS SCIENCE↗
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Materials Data on YInRh by Materials Project

YRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.07 Å) Y–Rh bond lengths. There are two shorter (3.22 Å) and four longer (3.34 Å) Y–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent In atoms. All Rh–In bond lengths are 2.85 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent In atoms. All Rh–In bond lengths are 2.77 Å. In is bonded in a 4-coordinate geometry to six equivalent Y and four Rh atoms.

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