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Materials Data on Yb(GdS2)2 by Materials Project

Yb(GdS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent GdS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent GdS8 hexagonal bipyramids. There are four shorter (2.81 Å) and four longer (3.03 Å) Yb–S bond lengths. Gd3+ is bonded to eight equivalent S2- atoms to form distorted GdS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent GdS8 hexagonal bipyramids, edges with four equivalent GdS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent GdS8 hexagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.80–3.02 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Gd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

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Materials Data on Yb(DyS2)2 by Materials Project

Yb(DyS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent DyS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent DyS8 hexagonal bipyramids. There are four shorter (2.81 Å) and four longer (3.02 Å) Yb–S bond lengths. Dy3+ is bonded to eight equivalent S2- atoms to form distorted DyS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent DyS8 hexagonal bipyramids, edges with four equivalent DyS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent DyS8 hexagonal bipyramids. There are a spread of Dy–S bond distances ranging from 2.76–2.99 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Dy3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Dy4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

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Materials Data on Yb(CeS2)2 by Materials Project

Yb(CeS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent CeS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent CeS8 hexagonal bipyramids. There are four shorter (2.85 Å) and four longer (3.06 Å) Yb–S bond lengths. Ce3+ is bonded to eight equivalent S2- atoms to form distorted CeS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent CeS8 hexagonal bipyramids, edges with four equivalent CeS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.86–3.06 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Ce3+ atoms to form a mixture of distorted face, edge, and corner-sharing SYb2Ce4 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

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Materials Data on Yb(Bi3O5)4 by Materials Project

Yb(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Yb2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.91 Å) Yb–O bond lengths. Bi+3.17+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.11–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of distorted corner and edge-sharing OYbBi3 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms. In the third O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of corner and edge-sharing OYbBi3 tetrahedra.

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Materials Data on Yb(BO2)3 by Materials Project

Yb(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.85 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.48 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Yb3+ and one B3+ atom.

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Materials Data on Yb(ErS2)2 by Materials Project

Yb(ErS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven S2- atoms to form distorted YbS7 pentagonal bipyramids that share corners with eight ErS6 octahedra, edges with five ErS6 octahedra, edges with two equivalent YbS7 pentagonal bipyramids, and faces with two equivalent YbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 13–68°. There are a spread of Yb–S bond distances ranging from 2.86–2.99 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with three equivalent ErS6 octahedra, corners with four equivalent YbS7 pentagonal bipyramids, edges with six ErS6 octahedra, and an edgeedge with one YbS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 52–60°. There are a spread of Er–S bond distances ranging from 2.69–2.79 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with three equivalent ErS6 octahedra, corners with four equivalent YbS7 pentagonal bipyramids, edges with four ErS6 octahedra, and edges with four equivalent YbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–60°. There are a spread of Er–S bond distances ranging from 2.69–2.76 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Yb2+ and two equivalent Er3+ atoms to form a mixture of edge and corner-sharing SYb3Er2 square pyramids. In the second S2- site, S2- is bonded to two equivalent Yb2+ and three Er3+ atoms to form a mixture of distorted edge and corner-sharing SYb2Er3 trigonal bipyramids. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Yb2+ and three Er3+ atoms to form SYb2Er3 square pyramids that share corners with two equivalent SYb3Er2 square pyramids, corners with two equivalent SYb2Er3 trigonal bipyramids, edges with five SYb2Er3 square pyramids, and edges with three equivalent SYb2Er3 trigonal bipyramids.

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Materials Data on Yb(ZnP)2 by Materials Project

Yb(ZnP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent P3- atoms to form YbP6 octahedra that share corners with twelve equivalent ZnP4 tetrahedra, edges with six equivalent YbP6 octahedra, and edges with six equivalent ZnP4 tetrahedra. All Yb–P bond lengths are 2.91 Å. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with six equivalent YbP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with three equivalent YbP6 octahedra, and edges with three equivalent ZnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–53°. There are three shorter (2.43 Å) and one longer (2.55 Å) Zn–P bond lengths. P3- is bonded to three equivalent Yb2+ and four equivalent Zn2+ atoms to form a mixture of distorted corner and edge-sharing PYb3Zn4 pentagonal bipyramids.

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Materials Data on Yb(TmSe2)2 by Materials Project

Yb(TmSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven Se2- atoms to form distorted YbSe7 pentagonal bipyramids that share corners with eight TmSe6 octahedra, edges with five TmSe6 octahedra, edges with two equivalent YbSe7 pentagonal bipyramids, and faces with two equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–66°. There are a spread of Yb–Se bond distances ranging from 2.97–3.12 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share corners with three equivalent TmSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with six TmSe6 octahedra, and an edgeedge with one YbSe7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of Tm–Se bond distances ranging from 2.81–2.91 Å. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share corners with three equivalent TmSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with four TmSe6 octahedra, and edges with four equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of Tm–Se bond distances ranging from 2.81–2.87 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form a mixture of distorted edge and corner-sharing SeYb2Tm3 trigonal bipyramids. In the second Se2- site, Se2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form SeYb2Tm3 square pyramids that share corners with two equivalent SeYb3Tm2 square pyramids, corners with two equivalent SeYb2Tm3 trigonal bipyramids, edges with five SeYb2Tm3 square pyramids, and edges with three equivalent SeYb2Tm3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to three equivalent Yb2+ and two equivalent Tm3+ atoms to form a mixture of edge and corner-sharing SeYb3Tm2 square pyramids. In the fourth Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Tm3+ atoms.

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Materials Data on Yb(HoSe2)2 by Materials Project

Yb(HoSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent HoSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.93 Å) and four longer (2.97 Å) Yb–Se bond lengths. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.83 Å) and four longer (2.89 Å) Ho–Se bond lengths. In the second Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six HoSe6 octahedra. There are four shorter (2.86 Å) and two longer (2.87 Å) Ho–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Ho3+ atoms to form a mixture of corner and edge-sharing SeYb2Ho3 square pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three Ho3+ atoms.

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Materials Data on Yb(BRu)4 by Materials Project

Yb(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Yb3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Yb–B bond distances ranging from 2.94–3.21 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form a mixture of distorted edge and corner-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.13–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Yb3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.80 Å.

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Materials Data on Yb(TmSe2)2 by Materials Project

Yb(TmSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent TmSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.93 Å) and four longer (2.96 Å) Yb–Se bond lengths. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six TmSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.80 Å) and four longer (2.87 Å) Tm–Se bond lengths. In the second Tm3+ site, Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six TmSe6 octahedra. There are four shorter (2.84 Å) and two longer (2.85 Å) Tm–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form a mixture of corner and edge-sharing SeYb2Tm3 square pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three Tm3+ atoms.

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Materials Data on Yb(ErSe2)2 by Materials Project

Yb(ErSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven Se2- atoms to form distorted YbSe7 pentagonal bipyramids that share corners with eight ErSe6 octahedra, edges with five ErSe6 octahedra, edges with two equivalent YbSe7 pentagonal bipyramids, and faces with two equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 13–66°. There are a spread of Yb–Se bond distances ranging from 2.97–3.13 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Se2- atoms to form ErSe6 octahedra that share corners with three equivalent ErSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with six ErSe6 octahedra, and an edgeedge with one YbSe7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of Er–Se bond distances ranging from 2.82–2.92 Å. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form ErSe6 octahedra that share corners with three equivalent ErSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with four ErSe6 octahedra, and edges with four equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of Er–Se bond distances ranging from 2.82–2.88 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Er3+ atoms to form a mixture of distorted edge and corner-sharing SeYb2Er3 trigonal bipyramids. In the second Se2- site, Se2- is bonded to two equivalent Yb2+ and three Er3+ atoms to form SeYb2Er3 square pyramids that share corners with two equivalent SeYb3Er2 square pyramids, corners with two equivalent SeYb2Er3 trigonal bipyramids, edges with five SeYb2Er3 square pyramids, and edges with three equivalent SeYb2Er3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to three equivalent Yb2+ and two equivalent Er3+ atoms to form a mixture of edge and corner-sharing SeYb3Er2 square pyramids. In the fourth Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms.

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Materials Data on Yb(H2N)2 by Materials Project

Yb(NH2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are two shorter (2.44 Å) and four longer (2.56 Å) Yb–N bond lengths. N3- is bonded in a distorted water-like geometry to three equivalent Yb2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to one N3- atom.

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Materials Data on Yb(CuTe)3 by Materials Project

Yb(CuTe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Te2- atoms to form YbTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent YbTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Yb–Te bond lengths are 3.13 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent YbTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent YbTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. There are a spread of Cu–Te bond distances ranging from 2.62–2.67 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Yb3+ and four equivalent Cu1+ atoms.

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Materials Data on Yb(SbS2)2 by Materials Project

Yb(SbS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Yb–S bond distances ranging from 2.89–2.99 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six S2- atoms to form distorted edge-sharing SbS6 octahedra. There are a spread of Sb–S bond distances ranging from 2.52–3.25 Å. In the second Sb3+ site, Sb3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sb–S bond distances ranging from 2.64–3.09 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Yb2+ and four Sb3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Yb2+ and three Sb3+ atoms. In the third S2- site, S2- is bonded to two equivalent Yb2+ and three equivalent Sb3+ atoms to form distorted edge-sharing SYb2Sb3 square pyramids. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to one Yb2+ and three Sb3+ atoms.

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Materials Data on Yb(BC)2 by Materials Project

Yb(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Yb–C bond lengths are 2.74 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.60 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Yb2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.39 Å.

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Materials Data on Yb(CdAs)2 by Materials Project

Yb(CdAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent As3- atoms to form YbAs6 octahedra that share corners with twelve equivalent CdAs4 tetrahedra, edges with six equivalent YbAs6 octahedra, and edges with six equivalent CdAs4 tetrahedra. All Yb–As bond lengths are 3.06 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with six equivalent YbAs6 octahedra, corners with six equivalent CdAs4 tetrahedra, edges with three equivalent YbAs6 octahedra, and edges with three equivalent CdAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–57°. There are three shorter (2.73 Å) and one longer (2.90 Å) Cd–As bond lengths. As3- is bonded to three equivalent Yb2+ and four equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing AsYb3Cd4 pentagonal bipyramids.

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Materials Data on Yb(ErSe2)2 by Materials Project

Yb(ErSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent ErSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.93 Å) and four longer (2.97 Å) Yb–Se bond lengths. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Se2- atoms to form ErSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are two shorter (2.81 Å) and four longer (2.88 Å) Er–Se bond lengths. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form ErSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six ErSe6 octahedra. There are four shorter (2.84 Å) and two longer (2.86 Å) Er–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Er3+ atoms to form a mixture of edge and corner-sharing SeYb2Er3 square pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three Er3+ atoms.

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