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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoSn3 by Materials Project

HoSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Sn atoms to form HoSn12 cuboctahedra that share corners with twelve equivalent HoSn12 cuboctahedra, edges with twenty-four equivalent SnHo4Sn8 cuboctahedra, faces with six equivalent HoSn12 cuboctahedra, and faces with twelve equivalent SnHo4Sn8 cuboctahedra. All Ho–Sn bond lengths are 3.33 Å. Sn is bonded to four equivalent Ho and eight equivalent Sn atoms to form distorted SnHo4Sn8 cuboctahedra that share corners with twelve equivalent SnHo4Sn8 cuboctahedra, edges with eight equivalent HoSn12 cuboctahedra, edges with sixteen equivalent SnHo4Sn8 cuboctahedra, faces with four equivalent HoSn12 cuboctahedra, and faces with fourteen equivalent SnHo4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.33 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5Sn3 by Materials Project

Ho5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.08–3.56 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Ho–Sn bond lengths are 3.19 Å. Sn is bonded in a 9-coordinate geometry to nine Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Sn7 by Materials Project

HoSn4Ho2Sn3 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of one Ho2Sn3 sheet oriented in the (0, 0, 1) direction and one HoSn4 sheet oriented in the (0, 0, 1) direction. In the Ho2Sn3 sheet, Ho is bonded in a distorted hexagonal planar geometry to four equivalent Ho and two equivalent Sn atoms. There are two shorter (3.01 Å) and two longer (3.39 Å) Ho–Ho bond lengths. Both Ho–Sn bond lengths are 3.19 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a hexagonal planar geometry to six Sn atoms. There are two shorter (3.01 Å) and four longer (3.17 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a distorted hexagonal planar geometry to two equivalent Ho and four Sn atoms. Both Sn–Sn bond lengths are 3.01 Å. In the HoSn4 sheet, Ho is bonded in a distorted hexagonal planar geometry to two equivalent Ho and four equivalent Sn atoms. Both Ho–Ho bond lengths are 3.01 Å. All Ho–Sn bond lengths are 3.18 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a hexagonal planar geometry to six Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.34 Å. In the second Sn site, Sn is bonded in a distorted hexagonal planar geometry to two equivalent Ho and four Sn atoms. Both Sn–Sn bond lengths are 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho11Sn10 by Materials Project

Ho11Sn10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to seven Sn atoms to form a mixture of distorted edge, face, and corner-sharing HoSn7 pentagonal bipyramids. There are a spread of Ho–Sn bond distances ranging from 3.06–3.45 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Ho–Sn bond distances ranging from 2.93–3.57 Å. In the third Ho site, Ho is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.40–3.80 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.06–3.27 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Sn site, Sn is bonded in a 11-coordinate geometry to seven Ho and four Sn atoms. There are two shorter (3.00 Å) and two longer (3.25 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to eight Ho atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to eight Ho and two Sn atoms. The Sn–Sn bond length is 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSn3 by Materials Project

HoSn3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Sn atoms to form HoSn12 cuboctahedra that share corners with four equivalent HoSn12 cuboctahedra, corners with two equivalent SnHo4Sn square pyramids, and faces with four equivalent HoSn12 cuboctahedra. There are a spread of Ho–Sn bond distances ranging from 3.13–3.44 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.15–3.36 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Ho 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 Ho and one Sn atom to form distorted SnHo4Sn square pyramids that share corners with two equivalent HoSn12 cuboctahedra, corners with four equivalent SnHo4Sn square pyramids, and edges with four equivalent SnHo4Sn 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 Ho and seven Sn atoms. There are four shorter (3.13 Å) and two longer (3.32 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a rectangular see-saw-like geometry to four equivalent Ho 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 Ho and six Sn atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho and four equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Sn7 by Materials Project

Ho3Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Sn atoms to form a mixture of corner and face-sharing HoSn12 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.40 Å) Ho–Sn bond lengths. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.19–3.47 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Ho and eight Sn atoms. There are four shorter (3.38 Å) and four longer (3.42 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Ho and six Sn atoms. All Sn–Sn bond lengths are 3.14 Å. In the third Sn site, Sn is bonded in a 10-coordinate geometry to four Ho and six Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Ho and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å.

36 MATERIALS SCIENCE↗