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All sourcesNASA NTRSDOE OSTI
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 Er3Sn by Materials Project

Er3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Sn atoms to form distorted ErEr8Sn4 cuboctahedra that share corners with twelve equivalent ErEr8Sn4 cuboctahedra, edges with eight equivalent ErEr8Sn4 cuboctahedra, edges with eight equivalent SnEr12 cuboctahedra, faces with four equivalent SnEr12 cuboctahedra, and faces with ten equivalent ErEr8Sn4 cuboctahedra. There are four shorter (3.28 Å) and four longer (3.46 Å) Er–Er bond lengths. All Er–Sn bond lengths are 3.46 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent Sn atoms. All Er–Sn bond lengths are 3.28 Å. Sn is bonded to twelve Er atoms to form SnEr12 cuboctahedra that share corners with four equivalent SnEr12 cuboctahedra, edges with eight equivalent SnEr12 cuboctahedra, edges with sixteen equivalent ErEr8Sn4 cuboctahedra, faces with four equivalent SnEr12 cuboctahedra, and faces with eight equivalent ErEr8Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Sn5 by Materials Project

Er2Sn5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first 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 3.17–3.48 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 3.17–3.45 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Sn atoms. There are one shorter (2.94 Å) and four longer (3.11 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Sn atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Er and two equivalent Sn atoms. In the fifth 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 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSn3 by Materials Project

ErSn3 crystallizes in the orthorhombic Amm2 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 ErSn12 cuboctahedra that share corners with four equivalent ErSn12 cuboctahedra, corners with two equivalent SnEr4Sn square pyramids, and faces with four equivalent ErSn12 cuboctahedra. There are a spread of Er–Sn bond distances ranging from 3.13–3.44 Å. In the second Er site, Er is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.14–3.38 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Er and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.13 Å. In the second Sn site, Sn is bonded to four equivalent Er and one Sn atom to form distorted SnEr4Sn square pyramids that share corners with two equivalent ErSn12 cuboctahedra, corners with four equivalent SnEr4Sn square pyramids, and edges with four equivalent SnEr4Sn square pyramids. The Sn–Sn bond length is 3.01 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Er and seven Sn atoms. There are four shorter (3.13 Å) and two longer (3.34 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a rectangular see-saw-like geometry to four equivalent Er and four Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to three Er and six Sn atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Er and four equivalent Sn 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↗