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Materials Data on CaMgZn by Materials Project

MgZnCa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent Ca, seven Mg, and five Zn atoms. There are one shorter (3.57 Å) and two longer (3.62 Å) Ca–Ca bond lengths. There are a spread of Ca–Mg bond distances ranging from 3.45–3.51 Å. There are a spread of Ca–Zn bond distances ranging from 3.32–3.54 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to four Ca, five Mg, and seven Zn atoms. The Ca–Ca bond length is 3.44 Å. There are a spread of Ca–Mg bond distances ranging from 3.36–3.54 Å. There are a spread of Ca–Zn bond distances ranging from 3.39–3.51 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Ca, two equivalent Mg, and four Zn atoms to form distorted MgCa6Mg2Zn4 cuboctahedra that share corners with two equivalent ZnCa6Mg6 cuboctahedra, corners with four equivalent MgCa6Mg4Zn2 cuboctahedra, edges with six equivalent MgCa6Mg2Zn4 cuboctahedra, faces with three equivalent ZnCa6Mg6 cuboctahedra, and faces with eight MgCa6Mg2Zn4 cuboctahedra. Both Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Zn bond distances ranging from 2.90–3.06 Å. In the second Mg site, Mg is bonded to six Ca, four Mg, and two equivalent Zn atoms to form distorted MgCa6Mg4Zn2 cuboctahedra that share corners with eight MgCa6Mg2Zn4 cuboctahedra, edges with two equivalent MgCa6Mg4Zn2 cuboctahedra, faces with four equivalent ZnCa6Mg6 cuboctahedra, and faces with ten MgCa6Mg2Zn4 cuboctahedra. There are one shorter (2.93 Å) and one longer (3.02 Å) Mg–Mg bond lengths. There are one shorter (2.85 Å) and one longer (3.00 Å) Mg–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to six Ca and six Mg atoms to form distorted ZnCa6Mg6 cuboctahedra that share corners with four equivalent MgCa6Mg2Zn4 cuboctahedra, corners with four equivalent ZnCa6Mg6 cuboctahedra, edges with two equivalent ZnCa6Mg6 cuboctahedra, and faces with fourteen MgCa6Mg2Zn4 cuboctahedra. In the second Zn site, Zn is bonded in a 2-coordinate geometry to six Ca, two equivalent Mg, and two Zn atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 12-coordinate geometry to six Ca, two equivalent Mg, and two equivalent Zn atoms.

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Materials Data on BaZnO5 by Materials Project

BaZnO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.35 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.42 Å. In the third Ba site, Ba is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ba–O bond distances ranging from 2.61–3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted trigonal planar geometry to three O atoms. There are a spread of Zn–O bond distances ranging from 1.80–1.87 Å. In the second Zn site, Zn is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Zn–O bond distances ranging from 1.81–1.90 Å. In the third Zn site, Zn is bonded in a distorted linear geometry to three O atoms. There are two shorter (1.78 Å) and one longer (2.63 Å) Zn–O bond lengths. There are fifteen inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Ba and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a 4-coordinate geometry to two Ba and two O atoms. Both O–O bond lengths are 1.35 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two Ba and one Zn atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Ba and one O atom. In the seventh O site, O is bonded in a 3-coordinate geometry to two Ba and one Zn atom. In the eighth O site, O is bonded in a single-bond geometry to one O atom. In the ninth O site, O is bonded in a 3-coordinate geometry to one Ba, one Zn, and one O atom. In the tenth O site, O is bonded in a 3-coordinate geometry to two Ba and one Zn atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one Zn atom. In the twelfth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Ba and one Zn atom. In the thirteenth O site, O is bonded in a 3-coordinate geometry to two Ba and one Zn atom. In the fourteenth O site, O is bonded in a distorted trigonal planar geometry to two Ba and one Zn atom. In the fifteenth O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one Zn atom.

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Materials Data on Zn2S2O11 by Materials Project

Zn2S2O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded in an octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 2.10–2.23 Å. In the second Zn site, Zn is bonded in a distorted linear geometry to four O atoms. There are two shorter (1.83 Å) and two longer (2.50 Å) Zn–O bond lengths. In the third Zn site, Zn is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.44 Å. There are two inequivalent S sites. In the first S site, S is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.50 Å) and two longer (1.52 Å) S–O bond length. In the second S site, S is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.52 Å) and one longer (1.66 Å) S–O bond length. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Zn and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Zn and one S atom. In the fifth O site, O is bonded in a water-like geometry to one Zn and one S atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two Zn and one S atom. In the seventh O site, O is bonded in an L-shaped geometry to one Zn and one O atom. The O–O bond length is 1.35 Å. In the eighth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the ninth O site, O is bonded in an L-shaped geometry to one Zn and one O atom. The O–O bond length is 1.35 Å. In the tenth O site, O is bonded in an L-shaped geometry to one Zn and one O atom. In the eleventh O site, O is bonded in a water-like geometry to two O atoms.

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Materials Data on CeZnNi by Materials Project

CeNiZn 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 11-coordinate geometry to five Ni and six Zn atoms. There are four shorter (2.85 Å) and one longer (2.95 Å) Ce–Ni bond lengths. There are two shorter (3.10 Å) and four longer (3.19 Å) Ce–Zn bond lengths. In the second Ce site, Ce is bonded in a 11-coordinate geometry to five Ni and six Zn atoms. There are four shorter (2.86 Å) and one longer (2.94 Å) Ce–Ni bond lengths. There are two shorter (3.10 Å) and four longer (3.19 Å) Ce–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Ce and three Zn atoms. All Ni–Zn bond lengths are 2.76 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Ce and six Zn atoms. All Ni–Zn bond lengths are 2.55 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to six Ce, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.93 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to six Ce, four Ni, and two Zn atoms. The Zn–Zn bond length is 2.92 Å.

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Materials Data on Zn11Ni2 by Materials Project

Ni2Zn11 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ni is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Ni–Zn bond distances ranging from 2.57–2.73 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.66 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Ni and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.97 Å. In the third Zn site, Zn is bonded in a 7-coordinate geometry to two equivalent Ni and eleven Zn atoms. The Zn–Zn bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
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Materials Data on ScZn12 by Materials Project

ScZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Sc–Zn bond distances ranging from 3.11–3.38 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Sc and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnSc2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.57–2.71 Å. In the second Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Sc and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.86 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Sc and nine Zn atoms. The Zn–Zn bond length is 2.62 Å.

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Materials Data on BaZn5 by Materials Project

BaZn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to eleven Zn atoms. There are a spread of Ba–Zn bond distances ranging from 3.43–3.96 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to four equivalent Ba and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to eight Zn atoms. There are two shorter (2.67 Å) and two longer (2.69 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 11-coordinate geometry to three equivalent Ba and eight Zn atoms. Both Zn–Zn bond lengths are 2.98 Å.

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Materials Data on ErZn12 by Materials Project

ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.

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Materials Data on Zn11Ir2 by Materials Project

Ir2Zn11 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ir is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Ir–Zn bond distances ranging from 2.61–2.80 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–3.02 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Ir and eleven Zn atoms. There are one shorter (2.62 Å) and two longer (2.68 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 3-coordinate geometry to three equivalent Ir and nine Zn atoms. All Zn–Zn bond lengths are 2.72 Å.

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Materials Data on SmZn12 by Materials Project

SmZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.18–3.42 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Sm and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.88 Å. In the second Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnSm2Zn10 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Sm and nine Zn atoms. The Zn–Zn bond length is 2.59 Å.

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Materials Data on YZn12 by Materials Project

YZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.16–3.41 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Y and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.88 Å. In the second Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form a mixture of edge, face, and corner-sharing ZnY2Zn10 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Y and nine Zn atoms. The Zn–Zn bond length is 2.59 Å.

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Materials Data on Zn5(BRh2)4 by Materials Project

Zn5(Rh2B)4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.85 Å. All Rh–B bond lengths are 2.22 Å. In the second Rh site, Rh is bonded in a distorted body-centered cubic geometry to six Zn and two equivalent B atoms. There are a spread of Rh–Zn bond distances ranging from 2.61–2.74 Å. Both Rh–B bond lengths are 2.13 Å. In the third Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.72 Å. All Rh–B bond lengths are 2.23 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to eight Rh atoms. In the second Zn site, Zn is bonded in a 11-coordinate geometry to eight Rh, one Zn, and two equivalent B atoms. The Zn–Zn bond length is 2.49 Å. Both Zn–B bond lengths are 2.69 Å. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. B is bonded in a 6-coordinate geometry to six Rh and one Zn atom.

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Materials Data on Dy(Zn10Ru)2 by Materials Project

Dy(RuZn10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.09 Å) and twelve longer (3.15 Å) Dy–Zn bond lengths. Ru is bonded to twelve Zn atoms to form RuZn12 cuboctahedra that share corners with six equivalent RuZn12 cuboctahedra, edges with eighteen equivalent ZnDyZn10Ru cuboctahedra, and faces with six equivalent ZnDyZn10Ru cuboctahedra. There are six shorter (2.53 Å) and six longer (2.77 Å) Ru–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted linear geometry to two equivalent Ru and six equivalent Zn atoms. There are two shorter (2.68 Å) and four longer (2.81 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to one Dy, one Ru, and ten Zn atoms to form distorted ZnDyZn10Ru cuboctahedra that share corners with fifteen equivalent ZnDyZn10Ru cuboctahedra, edges with two equivalent ZnDyZn10Ru cuboctahedra, edges with three equivalent RuZn12 cuboctahedra, a faceface with one RuZn12 cuboctahedra, and faces with fifteen equivalent ZnDyZn10Ru cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–3.04 Å. In the third Zn site, Zn is bonded in a distorted linear geometry to two equivalent Dy and twelve equivalent Zn atoms.

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Materials Data on TmZn12 by Materials Project

TmZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.08–3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnTm2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.72 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Tm and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Tm and nine Zn atoms. The Zn–Zn bond length is 2.58 Å.

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Materials Data on Zr2(ZnGa)3 by Materials Project

Zr2(ZnGa)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Zr is bonded to six Zn and six Ga atoms to form ZrZn6Ga6 cuboctahedra that share corners with twelve equivalent ZrZn6Ga6 cuboctahedra, edges with twelve ZnZr4Zn4Ga4 cuboctahedra, edges with twelve GaZr4Zn6Ga2 cuboctahedra, faces with six equivalent ZrZn6Ga6 cuboctahedra, faces with six ZnZr4Zn4Ga4 cuboctahedra, and faces with six GaZr4Zn6Ga2 cuboctahedra. There are a spread of Zr–Zn bond distances ranging from 2.87–2.92 Å. There are two shorter (2.86 Å) and four longer (2.87 Å) Zr–Ga bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Zr, four equivalent Zn, and four equivalent Ga atoms to form ZnZr4Zn4Ga4 cuboctahedra that share corners with four equivalent ZnZr4Zn4Ga4 cuboctahedra, corners with eight equivalent GaZr4Zn4Ga4 cuboctahedra, edges with eight equivalent ZrZn6Ga6 cuboctahedra, edges with eight equivalent ZnZr4Ga8 cuboctahedra, edges with eight equivalent GaZr4Zn6Ga2 cuboctahedra, faces with four equivalent ZrZn6Ga6 cuboctahedra, faces with six GaZr4Zn6Ga2 cuboctahedra, and faces with eight ZnZr4Zn4Ga4 cuboctahedra. All Zn–Zn bond lengths are 2.87 Å. All Zn–Ga bond lengths are 2.86 Å. In the second Zn site, Zn is bonded to four equivalent Zr and eight Ga atoms to form ZnZr4Ga8 cuboctahedra that share corners with twelve ZnZr4Ga8 cuboctahedra, edges with eight equivalent ZrZn6Ga6 cuboctahedra, edges with eight equivalent ZnZr4Zn4Ga4 cuboctahedra, edges with eight equivalent GaZr4Zn6Ga2 cuboctahedra, faces with four equivalent ZrZn6Ga6 cuboctahedra, faces with six ZnZr4Ga8 cuboctahedra, and faces with eight GaZr4Zn6Ga2 cuboctahedra. There are four shorter (2.87 Å) and four longer (2.92 Å) Zn–Ga bond lengths. In the third Zn site, Zn is bonded to four equivalent Zr, four equivalent Zn, and four equivalent Ga atoms to form ZnZr4Zn4Ga4 cuboctahedra that share corners with twelve ZnZr4Ga8 cuboctahedra, edges with eight equivalent ZrZn6Ga6 cuboctahedra, edges with sixteen GaZr4Zn6Ga2 cuboctahedra, faces with four equivalent ZrZn6Ga6 cuboctahedra, faces with four equivalent GaZr4Zn6Ga2 cuboctahedra, and faces with ten ZnZr4Zn4Ga4 cuboctahedra. All Zn–Ga bond lengths are 2.85 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Zr, six Zn, and two equivalent Ga atoms to form distorted GaZr4Zn6Ga2 cuboctahedra that share corners with twelve equivalent GaZr4Zn6Ga2 cuboctahedra, edges with four equivalent GaZr4Zn4Ga4 cuboctahedra, edges with eight equivalent ZrZn6Ga6 cuboctahedra, edges with twelve ZnZr4Zn4Ga4 cuboctahedra, faces with four equivalent ZrZn6Ga6 cuboctahedra, faces with six ZnZr4Zn4Ga4 cuboctahedra, and faces with eight GaZr4Zn6Ga2 cuboctahedra. Both Ga–Ga bond lengths are 2.94 Å. In the second Ga site, Ga is bonded to four equivalent Zr, four equivalent Zn, and four equivalent Ga atoms to form distorted GaZr4Zn4Ga4 cuboctahedra that share corners with four equivalent GaZr4Zn4Ga4 cuboctahedra, corners with eight equivalent ZnZr4Zn4Ga4 cuboctahedra, edges with eight equivalent ZrZn6Ga6 cuboctahedra, edges with eight equivalent ZnZr4Zn4Ga4 cuboctahedra, edges with eight equivalent GaZr4Zn6Ga2 cuboctahedra, faces with four equivalent ZrZn6Ga6 cuboctahedra, faces with six ZnZr4Zn4Ga4 cuboctahedra, and faces with eight GaZr4Zn6Ga2 cuboctahedra.

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Materials Data on MgZn5 by Materials Project

MgZn5 is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Zn atoms to form MgMg6Zn6 cuboctahedra that share corners with six equivalent MgMg6Zn6 cuboctahedra, corners with twelve equivalent ZnZn12 cuboctahedra, edges with six equivalent MgMg6Zn6 cuboctahedra, edges with twelve equivalent ZnMg3Zn9 cuboctahedra, faces with six equivalent MgMg6Zn6 cuboctahedra, and faces with fourteen ZnMg3Zn9 cuboctahedra. All Mg–Mg bond lengths are 2.80 Å. All Mg–Zn bond lengths are 2.99 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Mg and nine Zn atoms to form ZnMg3Zn9 cuboctahedra that share corners with eighteen ZnMg3Zn9 cuboctahedra, edges with six equivalent MgMg6Zn6 cuboctahedra, edges with twelve ZnMg3Zn9 cuboctahedra, faces with six equivalent MgMg6Zn6 cuboctahedra, and faces with fourteen ZnMg3Zn9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.83 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with six equivalent MgMg6Zn6 cuboctahedra, corners with twelve equivalent ZnZn12 cuboctahedra, edges with eighteen ZnMg3Zn9 cuboctahedra, a faceface with one MgMg6Zn6 cuboctahedra, and faces with nineteen ZnMg3Zn9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.85 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with eighteen ZnMg3Zn9 cuboctahedra, edges with eighteen ZnZn12 cuboctahedra, and faces with twenty ZnMg3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.80 Å.

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Materials Data on Gd(Zn10Co)2 by Materials Project

Gd(CoZn10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.04 Å) and twelve longer (3.11 Å) Gd–Zn bond lengths. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with six equivalent CoZn12 cuboctahedra, edges with eighteen equivalent ZnGdZn10Co cuboctahedra, and faces with six equivalent ZnGdZn10Co cuboctahedra. There are six shorter (2.49 Å) and six longer (2.71 Å) Co–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted linear geometry to two equivalent Co and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.76 Å. In the second Zn site, Zn is bonded to one Gd, one Co, and ten Zn atoms to form distorted ZnGdZn10Co cuboctahedra that share corners with fifteen equivalent ZnGdZn10Co cuboctahedra, edges with two equivalent ZnGdZn10Co cuboctahedra, edges with three equivalent CoZn12 cuboctahedra, a faceface with one CoZn12 cuboctahedra, and faces with fifteen equivalent ZnGdZn10Co cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.63–3.01 Å. In the third Zn site, Zn is bonded in a distorted linear geometry to two equivalent Gd and twelve equivalent Zn atoms.

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Materials Data on MgZn2 by Materials Project

MgZn2 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent ZnZn12 cuboctahedra, corners with twelve equivalent MgMg6Zn6 cuboctahedra, edges with six equivalent MgMg6Zn6 cuboctahedra, edges with twelve ZnMg3Zn9 cuboctahedra, faces with seven equivalent MgMg6Zn6 cuboctahedra, and faces with thirteen ZnZn12 cuboctahedra. All Mg–Mg bond lengths are 2.95 Å. There are three shorter (2.92 Å) and three longer (2.93 Å) Mg–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with six equivalent ZnZn12 cuboctahedra, corners with twelve equivalent MgMg6Zn6 cuboctahedra, edges with eighteen ZnZn12 cuboctahedra, faces with two equivalent MgMg6Zn6 cuboctahedra, and faces with eighteen ZnZn12 cuboctahedra. There are six shorter (2.75 Å) and six longer (2.95 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to three equivalent Mg and nine Zn atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with eighteen ZnMg3Zn9 cuboctahedra, edges with six equivalent MgMg6Zn6 cuboctahedra, edges with twelve ZnZn12 cuboctahedra, faces with six equivalent MgMg6Zn6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Zn–Zn bond lengths are 2.95 Å. In the third Zn site, Zn is bonded to six equivalent Mg and six equivalent Zn atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with eighteen ZnMg3Zn9 cuboctahedra, edges with six equivalent ZnMg6Zn6 cuboctahedra, edges with twelve equivalent MgMg6Zn6 cuboctahedra, faces with eight ZnMg3Zn9 cuboctahedra, and faces with twelve equivalent MgMg6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.95 Å.

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