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Dy is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded in a distorted body-centered cubic geometry to eight equivalent Dy atoms. All Dy–Dy bond lengths are 3.47 Å.
Er is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Er atoms to form a mixture of corner, edge, and face-sharing ErEr12 cuboctahedra. All Er–Er bond lengths are 3.51 Å.
Er is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a distorted body-centered cubic geometry to eight equivalent Er atoms. All Er–Er bond lengths are 3.43 Å.
FeRh2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve equivalent RhS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Fe–S bond lengths are 2.30 Å. Rh3+ is bonded to six equivalent S2- atoms to form RhS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent RhS6 octahedra. All Rh–S bond lengths are 2.39 Å. S2- is bonded to one Fe2+ and three equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing SFeRh3 trigonal pyramids.
FeTiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to four equivalent Fe and six equivalent Sb atoms. All Ti–Fe bond lengths are 2.58 Å. All Ti–Sb bond lengths are 2.98 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sb atoms. All Fe–Sb bond lengths are 2.58 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ti and four equivalent Fe atoms.
FeVSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Sb atoms. All V–Fe bond lengths are 2.63 Å. All V–Sb bond lengths are 2.63 Å. Fe is bonded in a 4-coordinate geometry to four equivalent V and six equivalent Sb atoms. All Fe–Sb bond lengths are 3.04 Å. Sb is bonded to four equivalent V and six equivalent Fe atoms to form a mixture of distorted face and corner-sharing SbV4Fe6 tetrahedra.
GeSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ge2+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing GeSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Se bond lengths are 2.83 Å. Se2- is bonded to six equivalent Ge2+ atoms to form a mixture of corner and edge-sharing SeGe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
KB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All K–B bond lengths are 3.10 Å. B is bonded in a 1-coordinate geometry to four equivalent K and five equivalent B atoms. There is one shorter (1.68 Å) and four longer (1.80 Å) B–B bond length.
MgSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing MgSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Se bond lengths are 2.76 Å. Se2- is bonded to six equivalent Mg2+ atoms to form a mixture of corner and edge-sharing SeMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.
FeTe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. All Fe–Te bond lengths are 2.69 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Fe2+ atoms.
Cd3As2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. All Cd–As bond lengths are 2.81 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cd2+ atoms.
KHgSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing KSb6 octahedra. The corner-sharing octahedral tilt angles are 43°. All K–Sb bond lengths are 3.86 Å. Hg2+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Hg–Sb bond lengths are 2.83 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent K1+ and three equivalent Hg2+ atoms.
HgS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing HgS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–S bond lengths are 2.79 Å. S2- is bonded to six equivalent Hg2+ atoms to form a mixture of edge and corner-sharing SHg6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Ho is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Ho atoms to form a mixture of corner, edge, and face-sharing HoHo12 cuboctahedra. All Ho–Ho bond lengths are 3.52 Å.
CsK2Yb(PO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra, edges with six equivalent PO4 tetrahedra, and faces with two equivalent YbO6 octahedra. There are six shorter (3.21 Å) and six longer (3.40 Å) Cs–O bond lengths. K1+ is bonded in a 7-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.30 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent CsO12 cuboctahedra. All Yb–O bond lengths are 2.31 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent YbO6 octahedra and edges with three equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+, one K1+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, three equivalent K1+, one Yb3+, and one P5+ atom.
BaAuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Au1+ and five equivalent Sb3- atoms to form a mixture of distorted corner and face-sharing BaSb5Au6 trigonal bipyramids. All Ba–Au bond lengths are 3.71 Å. There are three shorter (3.28 Å) and two longer (3.45 Å) Ba–Sb bond lengths. Au1+ is bonded in a distorted body-centered cubic geometry to six equivalent Ba2+ and two equivalent Au1+ atoms. Both Au–Au bond lengths are 3.45 Å. Sb3- is bonded to five equivalent Ba2+ atoms to form a mixture of corner and edge-sharing SbBa5 trigonal bipyramids.
RuB2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ru6+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Ru–B bond distances ranging from 2.17–2.28 Å. B3- is bonded in a 7-coordinate geometry to four equivalent Ru6+ and three equivalent B3- atoms. There is one shorter (1.83 Å) and two longer (1.89 Å) B–B bond length.
Dy4(SiS4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Dy–S bond distances ranging from 2.72–2.84 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Dy–S bond distances ranging from 2.77–2.97 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.83–3.01 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.78–3.17 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.16 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.09–2.14 Å. In the third Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.10–2.15 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to two Dy3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Dy3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to two Dy3+ and one Si4+ atom. In the eighth S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to three Dy3+ and one Si4+ atom. In the ninth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Dy3+ and one Si4+ atom. In the tenth S2- site, S2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to three Dy3+ and one Si4+ atom. In the twelfth S2- site, S2- is bonded in a 4-coordinate geometry to three Dy3+ and one Si4+ atom.