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Materials Data on LuZn by Materials Project

LuZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Lu–Zn bond lengths are 3.03 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

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Materials Data on Lu2Zn17 by Materials Project

Lu2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.08–3.44 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Lu and nine Zn atoms to form distorted ZnLu3Zn9 cuboctahedra that share corners with twenty-three ZnLu2Zn10 cuboctahedra, edges with ten ZnLu2Zn10 cuboctahedra, and faces with twenty ZnLu3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Lu and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form ZnLu2Zn10 cuboctahedra that share corners with twenty-two ZnLu2Zn10 cuboctahedra, edges with ten ZnLu2Zn10 cuboctahedra, and faces with eighteen ZnLu3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.58 Å. In the fourth Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form distorted ZnLu2Zn10 cuboctahedra that share corners with twenty-four ZnLu2Zn10 cuboctahedra, edges with five ZnLu2Zn10 cuboctahedra, and faces with twenty-one ZnLu3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.

36 MATERIALS SCIENCE↗

Materials Data on LuZn2 by Materials Project

LuZn2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.03–3.17 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.83 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu6Zn23 by Materials Project

Lu6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Zn atoms. There are eight shorter (3.07 Å) and four longer (3.19 Å) Lu–Zn bond lengths. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Lu and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.81 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.65 Å. In the third Zn site, Zn is bonded to four equivalent Lu and eight Zn atoms to form a mixture of face and corner-sharing ZnLu4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.75 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Lu and ten Zn atoms. All Zn–Zn bond lengths are 3.06 Å.

36 MATERIALS SCIENCE↗

Materials Data on LuZn5 by Materials Project

LuZn5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded in a 2-coordinate geometry to fourteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 2.99–3.26 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to six equivalent Zn atoms. All Zn–Zn bond lengths are 2.58 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Lu and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.83 Å. In the third Zn site, Zn is bonded to four equivalent Lu and eight Zn atoms to form ZnLu4Zn8 cuboctahedra that share corners with fourteen ZnLu4Zn8 cuboctahedra, edges with four equivalent ZnLu3Zn9 cuboctahedra, and faces with fourteen ZnLu4Zn8 cuboctahedra. There are two shorter (2.46 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Lu and ten Zn atoms. There are two shorter (2.66 Å) and four longer (2.72 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to three equivalent Lu and nine Zn atoms to form distorted ZnLu3Zn9 cuboctahedra that share corners with thirteen ZnLu4Zn8 cuboctahedra, edges with six ZnLu3Zn9 cuboctahedra, and faces with eleven ZnLu4Zn8 cuboctahedra. There are one shorter (2.84 Å) and two longer (2.94 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on LuZn12 by Materials Project

LuZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.06–3.36 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnLu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.58–2.71 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Lu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.68–2.94 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Lu and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.

36 MATERIALS SCIENCE↗

Materials Data on LuZn3 by Materials Project

LuZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to fourteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 2.95–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Lu and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.74 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Lu and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.03 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Lu and six Zn atoms.

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