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NiSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ni4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.36–2.44 Å. Si4- is bonded in a 7-coordinate geometry to seven equivalent Ni4+ atoms.
SmSn2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sm–Sn bond distances ranging from 3.22–3.55 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Sm atoms. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Sm atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to six equivalent Sm atoms.
MgSb3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg2+ is bonded in a 10-coordinate geometry to ten Sb+0.67- atoms. There are six shorter (3.14 Å) and four longer (3.43 Å) Mg–Sb bond lengths. There are two inequivalent Sb+0.67- sites. In the first Sb+0.67- site, Sb+0.67- is bonded in a 6-coordinate geometry to four equivalent Mg2+ atoms. In the second Sb+0.67- site, Sb+0.67- is bonded in a 12-coordinate geometry to three equivalent Mg2+ atoms.
TaS3 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.49–2.79 Å. There are two inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the second S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms.
MgZn is alpha-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six equivalent Zn atoms. All Mg–Zn bond lengths are 2.86 Å. Zn is bonded in a 6-coordinate geometry to six equivalent Mg atoms.
LiMo6(Se3S)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 2-coordinate geometry to six Se2- atoms. There are a spread of Li–Se bond distances ranging from 2.50–3.24 Å. There are six inequivalent Mo+2.50+ sites. In the first Mo+2.50+ site, Mo+2.50+ is bonded to four Se2- and one S2- atom to form a mixture of edge and corner-sharing MoSe4S square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.64 Å. The Mo–S bond length is 2.47 Å. In the second Mo+2.50+ site, Mo+2.50+ is bonded to four Se2- and one S2- atom to form a mixture of edge and corner-sharing MoSe4S square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.68 Å. The Mo–S bond length is 2.47 Å. In the third Mo+2.50+ site, Mo+2.50+ is bonded to three Se2- and two S2- atoms to form a mixture of edge and corner-sharing MoSe3S2 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.63 Å. There are one shorter (2.46 Å) and one longer (2.47 Å) Mo–S bond lengths. In the fourth Mo+2.50+ site, Mo+2.50+ is bonded to three Se2- and two S2- atoms to form a mixture of edge and corner-sharing MoSe3S2 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.67 Å. There are one shorter (2.45 Å) and one longer (2.58 Å) Mo–S bond lengths. In the fifth Mo+2.50+ site, Mo+2.50+ is bonded to four Se2- and one S2- atom to form a mixture of edge and corner-sharing MoSe4S square pyramids. There are a spread of Mo–Se bond distances ranging from 2.57–2.68 Å. The Mo–S bond length is 2.45 Å. In the sixth Mo+2.50+ site, Mo+2.50+ is bonded to four Se2- and one S2- atom to form a mixture of edge and corner-sharing MoSe4S square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.63 Å. The Mo–S bond length is 2.57 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to one Li1+ and four Mo+2.50+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Li1+ and four Mo+2.50+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to one Li1+ and four Mo+2.50+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Li1+ and four Mo+2.50+ atoms. In the fifth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Li1+ and three Mo+2.50+ atoms. In the sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Li1+ and three Mo+2.50+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Mo+2.50+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Mo+2.50+ atoms.
RhGa3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.46–2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a linear geometry to two equivalent Rh atoms. In the second Ga site, Ga is bonded in a 1-coordinate geometry to three equivalent Rh atoms.
HfSb is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven equivalent Sb atoms. There are a spread of Hf–Sb bond distances ranging from 2.93–3.10 Å. Sb is bonded in a 7-coordinate geometry to seven equivalent Hf atoms.
Ir2Ga9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.47–2.69 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted linear geometry to two equivalent Ir atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms.
MgSn is alpha-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six equivalent Sn atoms. All Mg–Sn bond lengths are 3.15 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Mg atoms.
Na2Mo15Se19 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are three shorter (3.16 Å) and one longer (3.51 Å) Na–Se bond lengths. There are three inequivalent Mo+2.40+ sites. In the first Mo+2.40+ site, Mo+2.40+ is bonded in a see-saw-like geometry to four Se2- atoms. There are two shorter (2.57 Å) and two longer (2.61 Å) Mo–Se bond lengths. In the second Mo+2.40+ site, Mo+2.40+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.56–2.66 Å. In the third Mo+2.40+ site, Mo+2.40+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.74 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 10-coordinate geometry to one Na1+ and three equivalent Mo+2.40+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.40+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to three equivalent Mo+2.40+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Na1+ and four Mo+2.40+ atoms. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.40+ atoms.
NbOF3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Nb5+ is bonded in a 4-coordinate geometry to one O2- and six equivalent F1- atoms. The Nb–O bond length is 1.72 Å. There are three shorter (2.00 Å) and three longer (2.38 Å) Nb–F bond lengths. O2- is bonded in a single-bond geometry to one Nb5+ atom. F1- is bonded in a 1-coordinate geometry to two equivalent Nb5+ atoms.
TmRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are three shorter (2.88 Å) and two longer (2.92 Å) Tm–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.61–2.68 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.
ErPt4In is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms. All Er–Pt bond lengths are 3.17 Å. Pt1- is bonded to three equivalent Er3+, six equivalent Pt1-, and three equivalent In1+ atoms to form a mixture of corner, edge, and face-sharing PtEr3In3Pt6 cuboctahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Pt–Pt bond lengths. All Pt–In bond lengths are 3.16 Å. In1+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms.
PuPt crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pu is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.82–3.10 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Pu atoms.
ZrSn crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to six equivalent Zr and six equivalent Sn atoms. There are two shorter (3.18 Å) and four longer (3.39 Å) Zr–Zr bond lengths. There are a spread of Zr–Sn bond distances ranging from 3.01–3.37 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Zr atoms.
FeSb2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe3+ is bonded in a 8-coordinate geometry to eight equivalent Sb+1.50- atoms. All Fe–Sb bond lengths are 2.82 Å. Sb+1.50- is bonded in a 4-coordinate geometry to four equivalent Fe3+ atoms.
USn2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of U–Sn bond distances ranging from 3.18–3.42 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.09 Å. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent U atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent U atoms.