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At least 1,189 records · Page 66
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DOE OSTI2020

Materials Data on Ho4CdPt by Materials Project

Ho4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Ho–Pt bond lengths are 2.85 Å. All Ho–Cd bond lengths are 3.40 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Ho–Pt bond lengths are 2.83 Å. Both Ho–Cd bond lengths are 3.50 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Ho–Pt bond lengths are 3.51 Å. Both Ho–Cd bond lengths are 3.26 Å. Pt is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4CdPt by Materials Project

Y4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Y–Pt bond lengths are 2.88 Å. All Y–Cd bond lengths are 3.41 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Y–Pt bond lengths are 2.86 Å. Both Y–Cd bond lengths are 3.53 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Y–Pt bond lengths are 3.55 Å. Both Y–Cd bond lengths are 3.28 Å. Pt is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrPt8 by Materials Project

Pt8Zr crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Pt8Zr ribbons oriented in the (0, 0, 1) direction. Zr4+ is bonded to twelve Pt+0.50- atoms to form face-sharing ZrPt12 cuboctahedra. All Zr–Pt bond lengths are 2.83 Å. There are two inequivalent Pt+0.50- sites. In the first Pt+0.50- site, Pt+0.50- is bonded in a distorted single-bond geometry to one Zr4+ atom. In the second Pt+0.50- site, Pt+0.50- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca5Pt2 by Materials Project

Ca5Pt2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.89–3.50 Å. In the second Ca site, Ca is bonded to four equivalent Pt atoms to form distorted edge-sharing CaPt4 tetrahedra. There are two shorter (3.01 Å) and two longer (3.07 Å) Ca–Pt bond lengths. In the third Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.94–3.12 Å. Pt is bonded in a 7-coordinate geometry to eight Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4MgPt by Materials Project

MgY4Pt crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. There are a spread of Mg–Y bond distances ranging from 3.34–3.57 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Pt atoms. All Y–Y bond lengths are 3.58 Å. All Y–Pt bond lengths are 2.88 Å. In the second Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.69 Å. Both Y–Pt bond lengths are 2.87 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.62 Å. Both Y–Pt bond lengths are 3.57 Å. Pt is bonded in a 6-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4CdPt by Materials Project

Sm4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Sm–Pt bond lengths are 2.92 Å. All Sm–Cd bond lengths are 3.52 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Sm–Pt bond lengths are 2.91 Å. Both Sm–Cd bond lengths are 3.58 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Sm–Pt bond lengths are 3.61 Å. Both Sm–Cd bond lengths are 3.35 Å. Pt is bonded in a 6-coordinate geometry to nine Sm atoms. Cd is bonded to nine Sm and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCeNiPt by Materials Project

CeLaPtNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ni atoms. All Ce–Pt bond lengths are 2.95 Å. There are two shorter (3.00 Å) and one longer (3.28 Å) Ce–Ni bond lengths. La is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Ni atoms. There are one shorter (3.05 Å) and two longer (3.18 Å) La–Pt bond lengths. All La–Ni bond lengths are 2.99 Å. Pt is bonded in a 9-coordinate geometry to four equivalent Ce, three equivalent La, and two equivalent Ni atoms. Both Pt–Ni bond lengths are 2.88 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Ce, four equivalent La, and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Pt2 by Materials Project

La3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in an octahedral geometry to six equivalent Pt atoms. All La–Pt bond lengths are 3.15 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (3.04 Å) and three longer (3.25 Å) La–Pt bond lengths. In the third La site, La is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of La–Pt bond distances ranging from 2.99–3.48 Å. Pt is bonded in a 8-coordinate geometry to eight La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2NiPt by Materials Project

Ce2PtNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ni atoms. All Ce–Pt bond lengths are 2.91 Å. There are one shorter (2.98 Å) and two longer (3.10 Å) Ce–Ni bond lengths. In the second Ce site, Ce is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Ni atoms. There are two shorter (3.04 Å) and one longer (3.05 Å) Ce–Pt bond lengths. All Ce–Ni bond lengths are 2.90 Å. Pt is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. Both Pt–Ni bond lengths are 2.88 Å. Ni is bonded in a 9-coordinate geometry to seven Ce and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2P3Pt4 by Materials Project

Eu2Pt4P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded in a 10-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Eu–Pt bond distances ranging from 3.21–3.39 Å. There are two shorter (3.13 Å) and four longer (3.14 Å) Eu–P bond lengths. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 12-coordinate geometry to four equivalent Eu+2.50+, four equivalent Pt1-, and four P+0.33- atoms. All Pt–Pt bond lengths are 2.95 Å. There are two shorter (2.51 Å) and two longer (2.52 Å) Pt–P bond lengths. In the second Pt1- site, Pt1- is bonded in a 3-coordinate geometry to five equivalent Eu+2.50+ and three P+0.33- atoms. There are two shorter (2.34 Å) and one longer (2.35 Å) Pt–P bond lengths. There are four inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Eu+2.50+ and five Pt1- atoms. In the second P+0.33- site, P+0.33- is bonded in a 8-coordinate geometry to four equivalent Eu+2.50+ and four equivalent Pt1- atoms. In the third P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Eu+2.50+ and five Pt1- atoms. All P–Eu bond lengths are 3.14 Å. The P–Pt bond length is 2.35 Å. In the fourth P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Eu+2.50+ and five Pt1- atoms. All P–Eu bond lengths are 3.14 Å. There are a spread of P–Pt bond distances ranging from 2.35–2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La7Pt3 by Materials Project

La7Pt3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Pt atoms. All La–Pt bond lengths are 3.01 Å. In the second La site, La is bonded in a distorted water-like geometry to two equivalent Pt atoms. Both La–Pt bond lengths are 2.96 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are two shorter (3.01 Å) and one longer (3.12 Å) La–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to six La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd4MgPt by Materials Project

MgNd4Pt crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Nd atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–Nd bond distances ranging from 3.45–3.66 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Nd, and three equivalent Pt atoms. All Nd–Nd bond lengths are 3.69 Å. All Nd–Pt bond lengths are 2.94 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Nd, and two equivalent Pt atoms. All Nd–Nd bond lengths are 3.79 Å. Both Nd–Pt bond lengths are 2.95 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg, ten Nd, and two equivalent Pt atoms. All Nd–Nd bond lengths are 3.72 Å. Both Nd–Pt bond lengths are 3.69 Å. Pt is bonded in a 6-coordinate geometry to nine Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4CdPt by Materials Project

Dy4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Dy–Pt bond lengths are 2.86 Å. All Dy–Cd bond lengths are 3.41 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Dy–Pt bond lengths are 2.85 Å. Both Dy–Cd bond lengths are 3.51 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Dy–Pt bond lengths are 3.53 Å. Both Dy–Cd bond lengths are 3.27 Å. Pt is bonded in a 6-coordinate geometry to nine Dy atoms. Cd is bonded to nine Dy and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdDy9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.18 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er4CdPt by Materials Project

Er4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Er–Pt bond lengths are 2.84 Å. All Er–Cd bond lengths are 3.39 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Er–Pt bond lengths are 2.82 Å. Both Er–Cd bond lengths are 3.49 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Er–Pt bond lengths are 3.50 Å. Both Er–Cd bond lengths are 3.24 Å. Pt is bonded in a 6-coordinate geometry to nine Er atoms. Cd is bonded to nine Er and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdEr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Ge6Pt by Materials Project

Yb2PtGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.07–3.30 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Yb–Pt bond lengths are 3.14 Å. There are a spread of Yb–Ge bond distances ranging from 3.15–3.50 Å. Pt is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.44–2.57 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Yb, two equivalent Pt, and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.90 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Yb and five Ge atoms. All Ge–Ge bond lengths are 2.90 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six Yb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.47 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Yb, one Pt, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Yb and five Ge atoms. The Ge–Ge bond length is 2.48 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Pt, and five Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2CuPt by Materials Project

Tb2PtCu crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Cu atoms. There are one shorter (2.94 Å) and two longer (2.97 Å) Tb–Pt bond lengths. There are two shorter (2.99 Å) and two longer (3.00 Å) Tb–Cu bond lengths. In the second Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Cu atoms. There are two shorter (2.99 Å) and two longer (3.00 Å) Tb–Pt bond lengths. There are one shorter (2.95 Å) and two longer (2.98 Å) Tb–Cu bond lengths. Pt is bonded in a 9-coordinate geometry to seven Tb and two equivalent Cu atoms. Both Pt–Cu bond lengths are 2.76 Å. Cu is bonded in a 9-coordinate geometry to seven Tb and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Pt2(SO4)6 by Materials Project

K3Pt2(SO4)6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.17 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.05 Å. Pt+4.50+ is bonded to five O2- atoms to form PtO5 square pyramids that share corners with five SO4 tetrahedra. There are a spread of Pt–O bond distances ranging from 2.02–2.16 Å. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one PtO5 square pyramid. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. In the third S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Pt+4.50+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt+4.50+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Pt+4.50+, and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Pt+4.50+, and one S6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to two K1+ and one S6+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt+4.50+ and one S6+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf3Ga3Pd2Pt by Materials Project

Hf3PtPd2Ga3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.86 Å. There are two shorter (2.78 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.77 Å. There are two shorter (2.86 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. Pt is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.69 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.59 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.58 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.68 Å. Ga is bonded in a 10-coordinate geometry to six Hf, one Pt, and three Pd atoms.

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