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Materials Data on Y2Zn17 by Materials Project

Y2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.11–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Y and nine Zn atoms to form distorted ZnY3Zn9 cuboctahedra that share corners with twenty-three ZnY2Zn10 cuboctahedra, edges with ten ZnY2Zn10 cuboctahedra, and faces with twenty ZnY3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.55–2.87 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Y and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form ZnY2Zn10 cuboctahedra that share corners with twenty-two ZnY2Zn10 cuboctahedra, edges with ten ZnY2Zn10 cuboctahedra, and faces with eighteen ZnY3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form distorted ZnY2Zn10 cuboctahedra that share corners with twenty-four ZnY2Zn10 cuboctahedra, edges with five ZnY2Zn10 cuboctahedra, and faces with twenty-one ZnY3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.

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Materials Data on YZn by Materials Project

YZn is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded to six equivalent Zn atoms to form a mixture of corner and edge-sharing YZn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Zn bond lengths are 2.96 Å. Zn is bonded to six equivalent Y atoms to form a mixture of corner and edge-sharing ZnY6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on YZn by Materials Project

YZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.11 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Y atoms.

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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.

36 MATERIALS SCIENCE↗

Materials Data on YZn5 by Materials Project

YZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.07 Å) and twelve longer (3.40 Å) Y–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Y and eight Zn atoms to form a mixture of edge, face, and corner-sharing ZnY4Zn8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.66 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗

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.

36 MATERIALS SCIENCE↗

Materials Data on YZn2 by Materials Project

Zn2Y is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Zn atoms. All Y–Y bond lengths are 3.35 Å. All Y–Zn bond lengths are 3.21 Å. Zn is bonded to six equivalent Y and six equivalent Zn atoms to form a mixture of corner, edge, and face-sharing ZnY6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗