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PdTl2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pd is bonded in a 10-coordinate geometry to eight equivalent Tl atoms. All Pd–Tl bond lengths are 2.96 Å. Tl is bonded in a 4-coordinate geometry to four equivalent Pd atoms.
PtTl2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pt2- is bonded in a 10-coordinate geometry to two equivalent Pt2- and eight equivalent Tl1+ atoms. Both Pt–Pt bond lengths are 2.84 Å. All Pt–Tl bond lengths are 3.00 Å. Tl1+ is bonded in a 4-coordinate geometry to four equivalent Pt2- atoms.
UPb crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Pb atoms. There are four shorter (3.24 Å) and four longer (3.46 Å) U–Pb bond lengths. Pb is bonded in a 12-coordinate geometry to eight equivalent U atoms.
Zr2Rh is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Rh atoms. All Zr–Rh bond lengths are 2.82 Å. Rh is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.
Zr4CuP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Cu and two equivalent P atoms. Both Zr–Cu bond lengths are 2.83 Å. Both Zr–P bond lengths are 2.77 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.71 Å. P is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.
NiTi is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to eight equivalent Ni atoms. There are six shorter (2.56 Å) and two longer (2.78 Å) Ti–Ni bond lengths. Ni is bonded in a 12-coordinate geometry to eight equivalent Ti atoms.
RuIn3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ru is bonded in a 8-coordinate geometry to eight In atoms. There are a spread of Ru–In bond distances ranging from 2.68–2.81 Å. There are two inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Ru atoms. In the second In site, In is bonded in a 1-coordinate geometry to three equivalent Ru atoms.
Ta2O5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.90–2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ta5+ atoms.
ScF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sc–F bond distances ranging from 2.02–2.60 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sc3+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Sc3+ atoms.
TbOF crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded in a 6-coordinate geometry to three equivalent O2- and three equivalent F1- atoms. There are a spread of Tb–O bond distances ranging from 2.17–2.38 Å. There are two shorter (2.27 Å) and one longer (2.42 Å) Tb–F bond lengths. O2- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.
In3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ir is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Ir–In bond distances ranging from 2.77–3.13 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ir atoms. In the second In site, In is bonded in a 2-coordinate geometry to three equivalent Ir atoms.
US2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of U–S bond distances ranging from 2.71–3.12 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing SU4 tetrahedra. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five equivalent U4+ atoms.
PuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pu–S bond distances ranging from 2.84–2.86 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Pu4+ atoms to form a mixture of distorted edge and corner-sharing SPu5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Pu4+ atoms.
SrHOI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent I1- atoms. All Sr–O bond lengths are 2.48 Å. There are four shorter (3.61 Å) and one longer (3.65 Å) Sr–I bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one H1+ atom. I1- is bonded in a 5-coordinate geometry to five equivalent Sr2+ atoms.
KV2P2H4O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to two equivalent H and ten O atoms. Both K–H bond lengths are 2.83 Å. There are a spread of K–O bond distances ranging from 2.90–3.28 Å. V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.31 Å. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one K and one O atom. The H–O bond length is 1.01 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one K, one V, and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one K, one V, and one P atom. In the fifth O site, O is bonded in a distorted water-like geometry to one K, one V, and two H atoms. In the sixth O site, O is bonded in a single-bond geometry to one K and one V atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two equivalent K atoms.
ZrRh is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven equivalent Rh atoms. There are a spread of Zr–Rh bond distances ranging from 2.64–2.93 Å. Rh is bonded in a 7-coordinate geometry to seven equivalent Zr atoms.
RuGa3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.45–2.60 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a linear geometry to two equivalent Ru atoms. In the second Ga site, Ga is bonded in a 1-coordinate geometry to three equivalent Ru atoms.
RuIn3 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Ru is bonded in a 8-coordinate geometry to eight In atoms. There are a spread of Ru–In bond distances ranging from 2.69–2.83 Å. There are two inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Ru atoms. In the second In site, In is bonded in a 1-coordinate geometry to three equivalent Ru atoms.