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Materials Data on PrZnNi by Materials Project

PrNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.92 Å) and one longer (2.99 Å) Pr–Ni bond lengths. There are two shorter (3.22 Å) and four longer (3.24 Å) Pr–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.84 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Pr, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.92 Å.

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Materials Data on LaZnNi by Materials Project

LaNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.94 Å) and one longer (3.02 Å) La–Ni bond lengths. There are two shorter (3.25 Å) and four longer (3.28 Å) La–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.88 Å. Zn is bonded in a 12-coordinate geometry to six equivalent La, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.88 Å.

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Materials Data on TbZnNi by Materials Project

TbNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.85 Å) and one longer (2.88 Å) Tb–Ni bond lengths. There are two shorter (3.10 Å) and four longer (3.14 Å) Tb–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.72 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Tb, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.95 Å.

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Materials Data on La2(Zn2Ge)3 by Materials Project

La2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.29 Å) and six longer (3.46 Å) La–Zn bond lengths. All La–Ge bond lengths are 3.19 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent La and three equivalent Ge atoms. There are one shorter (2.57 Å) and two longer (2.66 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent La and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La and five Zn atoms.

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Materials Data on ZnS by Materials Project

ZnS is Moissanite 9R-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are five inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fifth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.36 Å. In the third S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the fifth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the sixth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the seventh S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the eighth S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å.

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Materials Data on ZnS by Materials Project

ZnS is Moissanite 9R-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are five inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fifth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.36 Å. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fifth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the sixth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the seventh S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.36 Å. In the eighth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the ninth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å.

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Materials Data on ZnS by Materials Project

ZnS is Moissanite 9R-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the fourth S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fifth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the sixth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.36 Å. In the seventh S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the eighth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å.

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Materials Data on Gd2(Zn2Ge)3 by Materials Project

Gd2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.23 Å) and six longer (3.41 Å) Gd–Zn bond lengths. All Gd–Ge bond lengths are 3.12 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Gd and three equivalent Ge atoms. There are one shorter (2.50 Å) and two longer (2.65 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a distorted water-like geometry to two equivalent Gd and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.52 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Gd and five Zn atoms.

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Materials Data on Ce2Zn4Ru by Materials Project

Ce2RuZn4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve equivalent Zn atoms to form a mixture of face and edge-sharing CeZn12 cuboctahedra. There are a spread of Ce–Zn bond distances ranging from 3.15–3.27 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to two equivalent Ru and eight equivalent Zn atoms. Both Ce–Ru bond lengths are 2.60 Å. All Ce–Zn bond lengths are 3.03 Å. Ru is bonded in a 2-coordinate geometry to two equivalent Ce and eight equivalent Zn atoms. All Ru–Zn bond lengths are 2.85 Å. Zn is bonded in a 10-coordinate geometry to five Ce, two equivalent Ru, and three equivalent Zn atoms. There are one shorter (2.55 Å) and two longer (2.66 Å) Zn–Zn bond lengths.

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Materials Data on Zn7Sb8Ru9 by Materials Project

Ru9Zn7Sb8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in an octahedral geometry to six equivalent Sb atoms. All Ru–Sb bond lengths are 2.71 Å. In the second Ru site, Ru is bonded in a distorted body-centered cubic geometry to four Zn and four Sb atoms. There are one shorter (2.57 Å) and three longer (2.61 Å) Ru–Zn bond lengths. There are one shorter (2.63 Å) and three longer (2.77 Å) Ru–Sb bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Ru and six Sb atoms. There are two shorter (3.00 Å) and four longer (3.02 Å) Zn–Sb bond lengths. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent Zn atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to five Ru and four equivalent Zn atoms.

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Materials Data on EuZnGe by Materials Project

EuZnGe crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Zn and eight equivalent Ge atoms to form a mixture of edge and face-sharing EuZn4Ge8 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. All Eu–Ge bond lengths are 3.31 Å. In the second Eu site, Eu is bonded to eight equivalent Zn and four equivalent Ge atoms to form a mixture of edge and face-sharing EuZn8Ge4 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. All Eu–Ge bond lengths are 3.30 Å. Zn is bonded in a 2-coordinate geometry to six Eu, one Zn, and two equivalent Ge atoms. The Zn–Zn bond length is 2.50 Å. Both Zn–Ge bond lengths are 2.49 Å. Ge is bonded in a distorted bent 120 degrees geometry to six Eu, two equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.52 Å.

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Materials Data on ZnCu3 by Materials Project

Cu3Zn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Cu sites. In the first Cu site, Cu is bonded to nine Cu and three equivalent Zn atoms to form CuZn3Cu9 cuboctahedra that share corners with twelve CuZn3Cu9 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with eighteen CuZn3Cu9 cuboctahedra, faces with six equivalent ZnZn6Cu6 cuboctahedra, and faces with twelve CuZn3Cu9 cuboctahedra. There are three shorter (2.55 Å) and six longer (2.62 Å) Cu–Cu bond lengths. All Cu–Zn bond lengths are 2.60 Å. In the second Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with six equivalent CuCu12 cuboctahedra, corners with six equivalent ZnZn6Cu6 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with eighteen CuZn3Cu9 cuboctahedra, and faces with eighteen CuZn3Cu9 cuboctahedra. All Cu–Cu bond lengths are 2.62 Å. In the third Cu site, Cu is bonded to nine Cu and three equivalent Zn atoms to form CuZn3Cu9 cuboctahedra that share corners with seventeen CuZn3Cu9 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with sixteen CuZn3Cu9 cuboctahedra, faces with six equivalent ZnZn6Cu6 cuboctahedra, and faces with fifteen CuZn3Cu9 cuboctahedra. There are three shorter (2.55 Å) and six longer (2.62 Å) Cu–Cu bond lengths. All Cu–Zn bond lengths are 2.60 Å. In the fourth Cu site, Cu is bonded to sixteen Cu atoms to form CuCu16 cuboctahedra that share corners with six equivalent ZnZn6Cu6 cuboctahedra, corners with sixteen CuZn3Cu9 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with eighteen CuZn3Cu9 cuboctahedra, and faces with thirty-four CuZn3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.55–5.24 Å. In the fifth Cu site, Cu is bonded to nine Cu and three equivalent Zn atoms to form CuZn3Cu9 cuboctahedra that share corners with seventeen CuZn3Cu9 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with sixteen CuZn3Cu9 cuboctahedra, faces with six equivalent ZnZn6Cu6 cuboctahedra, and faces with fifteen CuZn3Cu9 cuboctahedra. All Cu–Cu bond lengths are 2.62 Å. All Cu–Zn bond lengths are 2.60 Å. Zn is bonded to six equivalent Cu and six equivalent Zn atoms to form ZnZn6Cu6 cuboctahedra that share corners with six equivalent CuCu12 cuboctahedra, corners with six equivalent ZnZn6Cu6 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with eighteen CuZn3Cu9 cuboctahedra, faces with six equivalent ZnZn6Cu6 cuboctahedra, and faces with twelve equivalent CuZn3Cu9 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å.

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Materials Data on DyZnNi by Materials Project

DyNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.82 Å) and one longer (2.90 Å) Dy–Ni bond lengths. There are two shorter (3.06 Å) and four longer (3.14 Å) Dy–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.71 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Dy, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.95 Å.

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Materials Data on Zr3Zn2 by Materials Project

Zn2Zr3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. All Zr–Zn bond lengths are 3.08 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Zn atoms. There are two shorter (2.79 Å) and four longer (2.93 Å) Zr–Zn bond lengths. In the third Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Zn atoms. There are two shorter (2.80 Å) and four longer (2.88 Å) Zr–Zn bond lengths. Zn is bonded in a 10-coordinate geometry to eight Zr and two equivalent Zn atoms. There are one shorter (2.61 Å) and one longer (2.72 Å) Zn–Zn bond lengths.

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Materials Data on SmZnNi by Materials Project

SmNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.87 Å) and one longer (2.95 Å) Sm–Ni bond lengths. There are two shorter (3.14 Å) and four longer (3.19 Å) Sm–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.55 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.79 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Sm, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.93 Å.

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Materials Data on ErZnNi by Materials Project

ErNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.81 Å) and one longer (2.89 Å) Er–Ni bond lengths. There are two shorter (3.04 Å) and four longer (3.13 Å) Er–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.71 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Er, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.93 Å.

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Materials Data on LuZnSn by Materials Project

LuZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Lu–Zn bond lengths are 2.96 Å. All Lu–Sn bond lengths are 3.35 Å. In the second Lu site, Lu is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing LuZn6Sn6 octahedra. All Lu–Zn bond lengths are 3.53 Å. All Lu–Sn bond lengths are 3.10 Å. Zn is bonded in a 10-coordinate geometry to six Lu, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.81 Å. All Zn–Sn bond lengths are 2.69 Å. Sn is bonded in a 9-coordinate geometry to six Lu and three equivalent Zn atoms.

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Materials Data on TmZnSn by Materials Project

TmZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Tm–Zn bond lengths are 2.95 Å. All Tm–Sn bond lengths are 3.37 Å. In the second Tm site, Tm is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing TmZn6Sn6 octahedra. All Tm–Zn bond lengths are 3.57 Å. All Tm–Sn bond lengths are 3.11 Å. Zn is bonded in a 10-coordinate geometry to six Tm, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.78 Å. All Zn–Sn bond lengths are 2.71 Å. Sn is bonded in a 6-coordinate geometry to six Tm and three equivalent Zn atoms.

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