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MoP is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo3+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner, edge, and face-sharing MoP6 pentagonal pyramids. All Mo–P bond lengths are 2.46 Å. P3- is bonded to six equivalent Mo3+ atoms to form a mixture of distorted corner, edge, and face-sharing PMo6 pentagonal pyramids.
Dy2C3 is Plutonium carbide structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to nine equivalent C2- atoms. There are a spread of Dy–C bond distances ranging from 2.51–2.82 Å. C2- is bonded to six equivalent Dy3+ and one C2- atom to form a mixture of distorted face, edge, and corner-sharing CDy6C trigonal bipyramids. The C–C bond length is 1.34 Å.
CuTeO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent CuO6 octahedra, corners with four equivalent TeO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 52–60°. There are a spread of Cu–O bond distances ranging from 1.91–2.32 Å. In the second Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent CuO6 octahedra, corners with four equivalent TeO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Cu–O bond distances ranging from 1.99–2.35 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four CuO6 octahedra, corners with four equivalent TeO6 octahedra, and edges with two CuO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of Te–O bond distances ranging from 1.90–2.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Cu2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cu2+ and two equivalent Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Te6+ atoms.
NbS is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge, corner, and face-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.54 Å. S2- is bonded to six equivalent Nb2+ atoms to form a mixture of distorted edge, corner, and face-sharing SNb6 pentagonal pyramids.
CrSb2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cr6+ is bonded to six equivalent Sb3- atoms to form a mixture of edge and corner-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two shorter (2.73 Å) and four longer (2.74 Å) Cr–Sb bond lengths. Sb3- is bonded in a 4-coordinate geometry to three equivalent Cr6+ atoms.
CrCl2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing CrCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.38 Å) and two longer (3.07 Å) Cr–Cl bond lengths. Cl1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ atoms.
LaI is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent I atoms. All La–I bond lengths are 3.35 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.
NiBi is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded to six equivalent Bi atoms to form a mixture of distorted corner and edge-sharing NiBi6 pentagonal pyramids. All Ni–Bi bond lengths are 2.75 Å. Bi is bonded to six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing BiNi6 octahedra. The corner-sharing octahedral tilt angles are 44°.
MnBi is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to six equivalent Bi atoms to form a mixture of distorted corner and edge-sharing MnBi6 pentagonal pyramids. All Mn–Bi bond lengths are 2.94 Å. Bi is bonded to six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BiMn6 octahedra. The corner-sharing octahedral tilt angles are 48°.
PtBi is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt2- is bonded to six equivalent Bi2+ atoms to form a mixture of distorted edge and corner-sharing PtBi6 pentagonal pyramids. All Pt–Bi bond lengths are 2.90 Å. Bi2+ is bonded to six equivalent Pt2- atoms to form a mixture of edge, face, and corner-sharing BiPt6 octahedra. The corner-sharing octahedral tilt angles are 45°.
MoC is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent C4- atoms to form a mixture of distorted edge, face, and corner-sharing MoC6 pentagonal pyramids. All Mo–C bond lengths are 2.20 Å. C4- is bonded to six equivalent Mo4+ atoms to form a mixture of distorted edge, face, and corner-sharing CMo6 pentagonal pyramids.
CCl3F is Iron carbide-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight trichlorofluoromethane molecules. C4+ is bonded in a tetrahedral geometry to three Cl1- and one F1- atom. All C–Cl bond lengths are 1.77 Å. The C–F bond length is 1.37 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.
SnI4 is Iron carbide-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight stannic iodide molecules. Sn4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.70 Å) and three longer (2.71 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Sn4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Sn4+ atom.
OsP2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Os2- is bonded to six equivalent P1+ atoms to form a mixture of corner and edge-sharing OsP6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two shorter (2.36 Å) and four longer (2.40 Å) Os–P bond lengths. P1+ is bonded in a distorted trigonal planar geometry to three equivalent Os2- atoms.
GeI4 is Iron carbide-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight germanium tetraiodide molecules. Ge4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.54 Å) and three longer (2.55 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ge4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ge4+ atom.
Ho2C3 is Plutonium carbide structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to nine equivalent C2- atoms. There are a spread of Ho–C bond distances ranging from 2.50–2.80 Å. C2- is bonded to six equivalent Ho3+ and one C2- atom to form a mixture of distorted corner, edge, and face-sharing CHo6C trigonal bipyramids. The C–C bond length is 1.34 Å.
TlBrO4 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hypobromous acid;trihydrate molecules and four thallium molecules.
NH4Br is Iron carbide-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is zero-dimensional and consists of two ammonium molecules and two hydrobromic acid molecules.