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DOE OSTI2020

Materials Data on Yb3Hf by Materials Project

Yb3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to eight Yb and four equivalent Hf atoms to form YbYb8Hf4 cuboctahedra that share corners with twelve equivalent YbYb8Hf4 cuboctahedra, edges with eight equivalent HfYb12 cuboctahedra, edges with sixteen YbYb8Hf4 cuboctahedra, faces with four equivalent HfYb12 cuboctahedra, and faces with fourteen YbYb8Hf4 cuboctahedra. There are four shorter (3.55 Å) and four longer (3.56 Å) Yb–Yb bond lengths. All Yb–Hf bond lengths are 3.55 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Hf atoms to form YbYb8Hf4 cuboctahedra that share corners with four equivalent YbYb8Hf4 cuboctahedra, corners with eight equivalent HfYb12 cuboctahedra, edges with twenty-four YbYb8Hf4 cuboctahedra, faces with six equivalent HfYb12 cuboctahedra, and faces with twelve YbYb8Hf4 cuboctahedra. All Yb–Hf bond lengths are 3.56 Å. Hf is bonded to twelve Yb atoms to form HfYb12 cuboctahedra that share corners with four equivalent HfYb12 cuboctahedra, corners with eight equivalent YbYb8Hf4 cuboctahedra, edges with eight equivalent HfYb12 cuboctahedra, edges with sixteen equivalent YbYb8Hf4 cuboctahedra, faces with four equivalent HfYb12 cuboctahedra, and faces with fourteen YbYb8Hf4 cuboctahedra.

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Materials Data on Yb3Pr by Materials Project

Yb3Pr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Pr atoms. All Yb–Yb bond lengths are 3.66 Å. All Yb–Pr bond lengths are 3.66 Å. In the second Yb site, Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Yb and six equivalent Pr atoms. All Yb–Pr bond lengths are 4.23 Å. Pr is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.

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Materials Data on Yb3Eu by Materials Project

Yb3Eu crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to eight Yb and four equivalent Eu atoms to form YbYb8Eu4 cuboctahedra that share corners with twelve equivalent YbYb8Eu4 cuboctahedra, edges with eight equivalent EuYb12 cuboctahedra, edges with sixteen YbYb8Eu4 cuboctahedra, faces with four equivalent EuYb12 cuboctahedra, and faces with fourteen YbYb8Eu4 cuboctahedra. All Yb–Yb bond lengths are 3.89 Å. All Yb–Eu bond lengths are 3.89 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Eu atoms to form YbYb8Eu4 cuboctahedra that share corners with four equivalent YbYb8Eu4 cuboctahedra, corners with eight equivalent EuYb12 cuboctahedra, edges with twenty-four YbYb8Eu4 cuboctahedra, faces with six equivalent EuYb12 cuboctahedra, and faces with twelve YbYb8Eu4 cuboctahedra. All Yb–Eu bond lengths are 3.89 Å. Eu is bonded to twelve Yb atoms to form EuYb12 cuboctahedra that share corners with four equivalent EuYb12 cuboctahedra, corners with eight equivalent YbYb8Eu4 cuboctahedra, edges with eight equivalent EuYb12 cuboctahedra, edges with sixteen equivalent YbYb8Eu4 cuboctahedra, faces with four equivalent EuYb12 cuboctahedra, and faces with fourteen YbYb8Eu4 cuboctahedra.

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Materials Data on Yb3Pm by Materials Project

Yb3Pm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms. All Yb–Yb bond lengths are 3.64 Å. All Yb–Pm bond lengths are 3.64 Å. In the second Yb site, Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Yb and six equivalent Pm atoms. All Yb–Pm bond lengths are 4.21 Å. Pm is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.

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Materials Data on Yb3Nb by Materials Project

Yb3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to eight Yb and four equivalent Nb atoms to form distorted YbYb8Nb4 cuboctahedra that share corners with twelve equivalent YbYb8Nb4 cuboctahedra, edges with eight equivalent NbYb12 cuboctahedra, edges with sixteen YbYb8Nb4 cuboctahedra, faces with four equivalent NbYb12 cuboctahedra, and faces with fourteen YbYb8Nb4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.55 Å) Yb–Yb bond lengths. All Yb–Nb bond lengths are 3.49 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Nb atoms to form YbYb8Nb4 cuboctahedra that share corners with four equivalent YbYb8Nb4 cuboctahedra, corners with eight equivalent NbYb12 cuboctahedra, edges with twenty-four YbYb8Nb4 cuboctahedra, faces with six equivalent NbYb12 cuboctahedra, and faces with twelve YbYb8Nb4 cuboctahedra. All Yb–Nb bond lengths are 3.55 Å. Nb is bonded to twelve Yb atoms to form NbYb12 cuboctahedra that share corners with four equivalent NbYb12 cuboctahedra, corners with eight equivalent YbYb8Nb4 cuboctahedra, edges with eight equivalent NbYb12 cuboctahedra, edges with sixteen equivalent YbYb8Nb4 cuboctahedra, faces with four equivalent NbYb12 cuboctahedra, and faces with fourteen YbYb8Nb4 cuboctahedra.

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Materials Data on Yb3Ga9Pd2 by Materials Project

Yb3Pd2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to twelve Ga atoms to form YbGa12 cuboctahedra that share edges with two equivalent GaYb4Ga4Pd4 cuboctahedra and faces with two equivalent YbGa12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.20 Å) Yb–Ga bond lengths. In the second Yb site, Yb is bonded in a 10-coordinate geometry to two equivalent Pd and twelve Ga atoms. Both Yb–Pd bond lengths are 3.05 Å. There are a spread of Yb–Ga bond distances ranging from 3.08–3.38 Å. Pd is bonded in a distorted q6 geometry to two equivalent Yb and eight Ga atoms. There are two shorter (2.65 Å) and six longer (2.77 Å) Pd–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Yb, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–2.73 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Yb, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.60 Å. In the third Ga site, Ga is bonded to four equivalent Yb, four equivalent Pd, and four equivalent Ga atoms to form distorted GaYb4Ga4Pd4 cuboctahedra that share edges with two equivalent YbGa12 cuboctahedra and faces with two equivalent GaYb4Ga4Pd4 cuboctahedra.

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Materials Data on Yb2VO5 by Materials Project

Yb2VO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Yb+2.50+ sites. In the first Yb+2.50+ site, Yb+2.50+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent YbO6 octahedra. There are a spread of Yb–O bond distances ranging from 2.29–2.47 Å. In the second Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.59 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–68°. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Yb+2.50+ and one V5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb+2.50+ and one V5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Yb+2.50+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb+2.50+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb+2.50+ and one V5+ atom.

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Materials Data on Yb3(GePd)4 by Materials Project

Yb3Pd4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to six Ge atoms to form distorted edge-sharing YbGe6 octahedra. There are two shorter (3.07 Å) and four longer (3.12 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Pd and six Ge atoms. There are four shorter (3.08 Å) and two longer (3.11 Å) Yb–Pd bond lengths. There are two shorter (2.98 Å) and four longer (3.02 Å) Yb–Ge bond lengths. Pd is bonded in a 12-coordinate geometry to three equivalent Yb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.59–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Yb and six equivalent Pd atoms.

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Materials Data on Yb3Sb5O12 by Materials Project

Yb3Sb5O12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are eleven inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the second Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the third Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the fourth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the fifth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the sixth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the seventh Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the eighth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the ninth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the tenth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the eleventh Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. There are eighteen inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fifth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the sixth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the seventh Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the eighth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the ninth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the tenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the eleventh Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the twelfth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the thirteenth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fourteenth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fifteenth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the sixteenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the seventeenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the eighteenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. O2- is bonded to two Yb3+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing OYb2Sb2 tetrahedra.

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Materials Data on Yb2PbAu2 by Materials Project

Yb2Au2Pb crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.06 Å) Yb–Au bond lengths. All Yb–Pb bond lengths are 3.52 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.07 Å) Yb–Au bond lengths. All Yb–Pb bond lengths are 3.56 Å. Au is bonded in a 6-coordinate geometry to six Yb and two equivalent Pb atoms. Both Au–Pb bond lengths are 3.24 Å. Pb is bonded to eight Yb and four equivalent Au atoms to form a mixture of corner and face-sharing PbYb8Au4 cuboctahedra.

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Materials Data on Yb3GeO by Materials Project

Yb3GeO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.63 Å. Both Yb–O bond lengths are 2.35 Å. In the second Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.55 Å. Both Yb–O bond lengths are 2.35 Å. Ge is bonded to twelve Yb atoms to form distorted GeYb12 cuboctahedra that share corners with twelve equivalent GeYb12 cuboctahedra, faces with six equivalent GeYb12 cuboctahedra, and faces with eight equivalent OYb6 octahedra. O is bonded to six Yb atoms to form OYb6 octahedra that share corners with six equivalent OYb6 octahedra and faces with eight equivalent GeYb12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–14°.

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Materials Data on Yb7Au3 by Materials Project

Yb7Au3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. All Yb–Au bond lengths are 2.96 Å. In the second Yb site, Yb is bonded in a distorted water-like geometry to two equivalent Au atoms. Both Yb–Au bond lengths are 3.00 Å. In the third Yb site, Yb is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are two shorter (3.00 Å) and one longer (3.06 Å) Yb–Au bond lengths. Au is bonded in a 6-coordinate geometry to six Yb atoms.

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Materials Data on Yb2Pt2Pb by Materials Project

Yb2Pt2Pb crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Pt and four equivalent Pb atoms. There are two shorter (2.92 Å) and four longer (2.96 Å) Yb–Pt bond lengths. All Yb–Pb bond lengths are 3.42 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Pt and four equivalent Pb atoms. There are two shorter (2.90 Å) and four longer (3.00 Å) Yb–Pt bond lengths. All Yb–Pb bond lengths are 3.47 Å. Pt is bonded in a 6-coordinate geometry to six Yb and two equivalent Pb atoms. Both Pt–Pb bond lengths are 3.03 Å. Pb is bonded to eight Yb and four equivalent Pt atoms to form a mixture of corner and face-sharing PbYb8Pt4 cuboctahedra.

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Materials Data on Yb3Sm3S8 by Materials Project

Yb3Sm3S8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Yb+2.33+ sites. In the first Yb+2.33+ site, Yb+2.33+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.81–3.08 Å. In the second Yb+2.33+ site, Yb+2.33+ is bonded to eight S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with four equivalent SmS8 hexagonal bipyramids, edges with four equivalent SmS8 hexagonal bipyramids, and faces with four equivalent SmS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.82–3.04 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to eight S2- atoms to form distorted SmS8 hexagonal bipyramids that share corners with four equivalent SmS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent SmS8 hexagonal bipyramids. There are four shorter (2.82 Å) and four longer (3.00 Å) Sm–S bond lengths. In the second Sm3+ site, Sm3+ is bonded to eight S2- atoms to form distorted SmS8 hexagonal bipyramids that share corners with two equivalent YbS8 hexagonal bipyramids, corners with two equivalent SmS8 hexagonal bipyramids, edges with four equivalent SmS8 hexagonal bipyramids, faces with two equivalent YbS8 hexagonal bipyramids, and faces with two equivalent SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.83–3.00 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three Yb+2.33+ and three Sm3+ atoms. In the second S2- site, S2- is bonded to three Yb+2.33+ and three Sm3+ atoms to form a mixture of distorted face and corner-sharing SYb3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 19–48°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to three Yb+2.33+ and three Sm3+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three Yb+2.33+ and three Sm3+ atoms.

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Materials Data on Yb3U by Materials Project

UYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (3.59 Å) and six longer (4.15 Å) U–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent U and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.59 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent U and eight equivalent Yb atoms.

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Materials Data on RbYb3 by Materials Project

RbYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (4.03 Å) and six longer (4.65 Å) Rb–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent Yb atoms. All Yb–Yb bond lengths are 4.03 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent Rb and eight equivalent Yb atoms.

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Materials Data on Yb3U by Materials Project

UYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded to twelve Yb atoms to form UYb12 cuboctahedra that share corners with four equivalent UYb12 cuboctahedra, corners with eight equivalent YbYb8U4 cuboctahedra, edges with eight equivalent UYb12 cuboctahedra, edges with sixteen equivalent YbYb8U4 cuboctahedra, faces with four equivalent UYb12 cuboctahedra, and faces with fourteen YbYb8U4 cuboctahedra. There are four shorter (3.65 Å) and eight longer (3.72 Å) U–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent U and eight Yb atoms to form YbYb8U4 cuboctahedra that share corners with twelve equivalent YbYb8U4 cuboctahedra, edges with eight equivalent UYb12 cuboctahedra, edges with sixteen YbYb8U4 cuboctahedra, faces with four equivalent UYb12 cuboctahedra, and faces with fourteen YbYb8U4 cuboctahedra. There are four shorter (3.65 Å) and four longer (3.72 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to four equivalent U and eight equivalent Yb atoms to form distorted YbYb8U4 cuboctahedra that share corners with four equivalent YbYb8U4 cuboctahedra, corners with eight equivalent UYb12 cuboctahedra, edges with twenty-four YbYb8U4 cuboctahedra, faces with six equivalent UYb12 cuboctahedra, and faces with twelve YbYb8U4 cuboctahedra.

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Materials Data on Yb3Mg by Materials Project

MgYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Mg–Yb bond lengths are 3.56 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.56 Å. In the second Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

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