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IrTe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent Te2- atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ir–Te bond lengths are 2.70 Å. Te2- is bonded in a 4-coordinate geometry to three equivalent Ir4+ and one Te2- atom. The Te–Te bond length is 3.01 Å.
IrTe2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent Te2- atoms to form a mixture of corner and edge-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.66 Å) and four longer (2.69 Å) Ir–Te bond lengths. Te2- is bonded in a distorted trigonal planar geometry to three equivalent Ir4+ atoms.
NiAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ni3+ is bonded to three equivalent As1- and three equivalent Se2- atoms to form NiAs3Se3 octahedra that share corners with twelve equivalent NiAs3Se3 octahedra, corners with three equivalent SeNi3As tetrahedra, and corners with three equivalent AsNi3Se trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Ni–As bond lengths are 2.42 Å. All Ni–Se bond lengths are 2.46 Å. As1- is bonded to three equivalent Ni3+ and one Se2- atom to form AsNi3Se trigonal pyramids that share corners with three equivalent NiAs3Se3 octahedra, corners with nine equivalent SeNi3As tetrahedra, and corners with six equivalent AsNi3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The As–Se bond length is 2.49 Å. Se2- is bonded to three equivalent Ni3+ and one As1- atom to form SeNi3As tetrahedra that share corners with three equivalent NiAs3Se3 octahedra, corners with six equivalent SeNi3As tetrahedra, and corners with nine equivalent AsNi3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.
NiSbSe is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ni3+ is bonded to three equivalent Sb1- and three equivalent Se2- atoms to form NiSb3Se3 octahedra that share corners with twelve equivalent NiSb3Se3 octahedra, corners with three equivalent SbNi3Se trigonal pyramids, and corners with three equivalent SeNi3Sb trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Ni–Sb bond lengths are 2.58 Å. All Ni–Se bond lengths are 2.49 Å. Sb1- is bonded to three equivalent Ni3+ and one Se2- atom to form distorted SbNi3Se trigonal pyramids that share corners with three equivalent NiSb3Se3 octahedra, corners with six equivalent SbNi3Se trigonal pyramids, and corners with nine equivalent SeNi3Sb trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Se bond length is 2.71 Å. Se2- is bonded to three equivalent Ni3+ and one Sb1- atom to form distorted SeNi3Sb trigonal pyramids that share corners with three equivalent NiSb3Se3 octahedra, corners with six equivalent SeNi3Sb trigonal pyramids, and corners with nine equivalent SbNi3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.
PdAsS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent As2- and three equivalent S2- atoms to form PdAs3S3 octahedra that share corners with twelve equivalent PdAs3S3 octahedra, corners with three equivalent AsPd3S tetrahedra, and corners with three equivalent SAsPd3 tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. All Pd–As bond lengths are 2.53 Å. All Pd–S bond lengths are 2.54 Å. As2- is bonded to three equivalent Pd4+ and one S2- atom to form distorted AsPd3S tetrahedra that share corners with three equivalent PdAs3S3 octahedra, corners with six equivalent AsPd3S tetrahedra, and corners with nine equivalent SAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The As–S bond length is 2.29 Å. S2- is bonded to three equivalent Pd4+ and one As2- atom to form SAsPd3 tetrahedra that share corners with three equivalent PdAs3S3 octahedra, corners with six equivalent SAsPd3 tetrahedra, and corners with nine equivalent AsPd3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.
PdAsSe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent As2- and three equivalent Se2- atoms to form PdAs3Se3 octahedra that share corners with twelve equivalent PdAs3Se3 octahedra, corners with three equivalent AsPd3Se tetrahedra, and corners with three equivalent SeAsPd3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pd–As bond lengths are 2.55 Å. All Pd–Se bond lengths are 2.63 Å. As2- is bonded to three equivalent Pd4+ and one Se2- atom to form distorted AsPd3Se tetrahedra that share corners with three equivalent PdAs3Se3 octahedra, corners with six equivalent AsPd3Se tetrahedra, and corners with nine equivalent SeAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 77°. The As–Se bond length is 2.47 Å. Se2- is bonded to three equivalent Pd4+ and one As2- atom to form SeAsPd3 tetrahedra that share corners with three equivalent PdAs3Se3 octahedra, corners with six equivalent SeAsPd3 tetrahedra, and corners with nine equivalent AsPd3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°.
UOs2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U4+ is bonded in a 12-coordinate geometry to twelve equivalent Os2- atoms. All U–Os bond lengths are 3.12 Å. Os2- is bonded to six equivalent U4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsU6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å.
PdSbTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent Sb2- and three equivalent Te2- atoms to form PdSb3Te3 octahedra that share corners with twelve equivalent PdSb3Te3 octahedra, corners with three equivalent SbTePd3 trigonal pyramids, and corners with three equivalent TeSbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pd–Sb bond lengths are 2.73 Å. All Pd–Te bond lengths are 2.78 Å. Sb2- is bonded to three equivalent Pd4+ and one Te2- atom to form SbTePd3 trigonal pyramids that share corners with three equivalent PdSb3Te3 octahedra, corners with six equivalent SbTePd3 trigonal pyramids, and corners with nine equivalent TeSbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Te bond length is 2.91 Å. Te2- is bonded to three equivalent Pd4+ and one Sb2- atom to form TeSbPd3 trigonal pyramids that share corners with three equivalent PdSb3Te3 octahedra, corners with six equivalent TeSbPd3 trigonal pyramids, and corners with nine equivalent SbTePd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.
LaB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La2+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All La–C bond lengths are 2.84 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent La2+ and three equivalent B3+ atoms.
PrB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Pr–C bond lengths are 2.81 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Pr4+ and three equivalent B atoms.
TbB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Tb–C bond lengths are 2.70 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.53 Å) and two longer (1.61 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Tb4+ and three equivalent B atoms.
ErB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Er–B bond lengths are 2.72 Å. All Er–C bond lengths are 2.66 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Er and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.60 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Er and three equivalent B atoms.
Tm(BC)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Tm–B bond lengths are 2.71 Å. All Tm–C bond lengths are 2.65 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Tm and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.60 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Tm and three equivalent B atoms.
Lu(BC)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Lu–B bond lengths are 2.69 Å. All Lu–C bond lengths are 2.63 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Lu and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.59 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Lu and three equivalent B atoms.
TaC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing TaC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.24 Å. C4- is bonded to six equivalent Ta4+ atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
CeNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Ce–C bond lengths are 2.57 Å. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CCe4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Ni–B bond lengths are 2.10 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni2+ and one C2- atom. The B–C bond length is 1.50 Å. C2- is bonded to four equivalent Ce4+ and two equivalent B3- atoms to form distorted CCe4B2 octahedra that share corners with four equivalent CCe4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CCe4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.
Hg crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one Hg ribbon oriented in the (0, 0, 1) direction and one Hg framework. In the Hg ribbon, Hg is bonded in a linear geometry to two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.29 Å. In the Hg framework, Hg is bonded to five equivalent Hg atoms to form a mixture of edge and corner-sharing HgHg5 trigonal bipyramids. There are three shorter (3.21 Å) and two longer (3.29 Å) Hg–Hg bond lengths.
Ho2PdGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Pd and ten Ge atoms. All Ho–Pd bond lengths are 3.15 Å. There are a spread of Ho–Ge bond distances ranging from 3.09–3.45 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.14 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.43–2.51 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ho, two equivalent Pd, and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.87 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ho and five Ge atoms. All Ge–Ge bond lengths are 2.87 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ho, one Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the fourth Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ho, two equivalent Pd, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ho and five Ge atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms.