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DOE OSTI2020

Materials Data on ErSn3 by Materials Project

ErSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Sn atoms to form ErSn12 cuboctahedra that share corners with twelve equivalent ErSn12 cuboctahedra, edges with twenty-four equivalent SnEr4Sn8 cuboctahedra, faces with six equivalent ErSn12 cuboctahedra, and faces with twelve equivalent SnEr4Sn8 cuboctahedra. All Er–Sn bond lengths are 3.33 Å. Sn is bonded to four equivalent Er and eight equivalent Sn atoms to form distorted SnEr4Sn8 cuboctahedra that share corners with twelve equivalent SnEr4Sn8 cuboctahedra, edges with eight equivalent ErSn12 cuboctahedra, edges with sixteen equivalent SnEr4Sn8 cuboctahedra, faces with four equivalent ErSn12 cuboctahedra, and faces with fourteen equivalent SnEr4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.33 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ErSn2 by Materials Project

ErSn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.15–3.44 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er5Sn3 by Materials Project

Er5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.06–3.54 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Er–Sn bond lengths are 3.18 Å. Sn is bonded in a 9-coordinate geometry to nine Er atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er3Sn7 by Materials Project

Er3Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Sn atoms to form a mixture of corner and face-sharing ErSn12 cuboctahedra. There are a spread of Er–Sn bond distances ranging from 3.12–3.40 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.17–3.44 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Er and eight Sn atoms. There are four shorter (3.38 Å) and four longer (3.40 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Er and six Sn atoms. All Sn–Sn bond lengths are 3.12 Å. In the third Sn site, Sn is bonded in a 10-coordinate geometry to four Er and six Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å.

36 MATERIALS SCIENCE↗