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PdF2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent F1- atoms to form a mixture of corner and edge-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.13 Å) and four longer (2.22 Å) Pd–F bond lengths. F1- is bonded in a trigonal planar geometry to three equivalent Pd2+ atoms.
LaAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. La is bonded to six equivalent Ge atoms to form distorted LaGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent LaGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All La–Ge bond lengths are 3.14 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent LaGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent LaGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–53°. All Al–Ge bond lengths are 2.58 Å. Ge is bonded to three equivalent La and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing GeLa3Al4 pentagonal bipyramids.
NdAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd is bonded to six equivalent Ge atoms to form distorted NdGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent NdGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Nd–Ge bond lengths are 3.09 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent NdGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent NdGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–54°. All Al–Ge bond lengths are 2.57 Å. Ge is bonded to three equivalent Nd and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeNd3Al4 pentagonal bipyramids.
Ca5Rh19P12 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to ten Rh and six P atoms. There are a spread of Ca–Rh bond distances ranging from 3.06–3.36 Å. All Ca–P bond lengths are 3.04 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to nine Rh and six equivalent P atoms. There are six shorter (3.14 Å) and three longer (3.20 Å) Ca–Rh bond lengths. All Ca–P bond lengths are 2.98 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent P atoms. All Rh–P bond lengths are 2.30 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three Ca, five Rh, and four P atoms. There are a spread of Rh–Rh bond distances ranging from 2.79–2.91 Å. There are one shorter (2.40 Å) and three longer (2.43 Å) Rh–P bond lengths. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three Ca, five Rh, and four P atoms. There are one shorter (2.85 Å) and two longer (2.89 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.31–2.54 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ca, four equivalent Rh, and four P atoms. There are two shorter (2.35 Å) and two longer (2.36 Å) Rh–P bond lengths. In the fifth Rh site, Rh is bonded in a distorted single-bond geometry to six Rh and five P atoms. There are one shorter (2.29 Å) and four longer (2.79 Å) Rh–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Ca and five Rh atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Rh atoms.
Ba2LiOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.19 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent OsO6 octahedra. All Ba–O bond lengths are 2.91 Å. Os7+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to one Li1+, four equivalent Ba2+, and one Os7+ atom.
FeIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Ir atoms to form FeIr12 cuboctahedra that share corners with twelve equivalent FeIr12 cuboctahedra, edges with twenty-four equivalent IrFe4Ir8 cuboctahedra, faces with six equivalent FeIr12 cuboctahedra, and faces with twelve equivalent IrFe4Ir8 cuboctahedra. All Fe–Ir bond lengths are 2.68 Å. Ir is bonded to four equivalent Fe and eight equivalent Ir atoms to form IrFe4Ir8 cuboctahedra that share corners with twelve equivalent IrFe4Ir8 cuboctahedra, edges with eight equivalent FeIr12 cuboctahedra, edges with sixteen equivalent IrFe4Ir8 cuboctahedra, faces with four equivalent FeIr12 cuboctahedra, and faces with fourteen equivalent IrFe4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.68 Å.
Ag is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Ag atoms to form a mixture of edge, corner, and face-sharing AgAg12 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Ag–Ag bond lengths.
CuSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded in a body-centered cubic geometry to two equivalent Cu and six equivalent Sn atoms. Both Cu–Cu bond lengths are 2.55 Å. All Cu–Sn bond lengths are 2.73 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Cu atoms.
La3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All La–Al bond lengths are 3.68 Å. Both La–C bond lengths are 2.60 Å. Al is bonded to twelve equivalent La atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent AlLa12 cuboctahedra, faces with six equivalent AlLa12 cuboctahedra, and faces with eight equivalent CLa6 octahedra. C is bonded to six equivalent La atoms to form CLa6 octahedra that share corners with six equivalent CLa6 octahedra and faces with eight equivalent AlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Y3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Y–Ga bond lengths are 3.44 Å. Both Y–C bond lengths are 2.44 Å. Ga is bonded to twelve equivalent Y atoms to form GaY12 cuboctahedra that share corners with twelve equivalent GaY12 cuboctahedra, faces with six equivalent GaY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent GaY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Sm3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Sm–Ga bond lengths are 3.54 Å. Both Sm–C bond lengths are 2.50 Å. Ga is bonded to twelve equivalent Sm atoms to form GaSm12 cuboctahedra that share corners with twelve equivalent GaSm12 cuboctahedra, faces with six equivalent GaSm12 cuboctahedra, and faces with eight equivalent CSm6 octahedra. C is bonded to six equivalent Sm atoms to form CSm6 octahedra that share corners with six equivalent CSm6 octahedra and faces with eight equivalent GaSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Sm3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Sm–Tl bond lengths are 3.58 Å. Both Sm–C bond lengths are 2.53 Å. Tl is bonded to twelve equivalent Sm atoms to form TlSm12 cuboctahedra that share corners with twelve equivalent TlSm12 cuboctahedra, faces with six equivalent TlSm12 cuboctahedra, and faces with eight equivalent CSm6 octahedra. C is bonded to six equivalent Sm atoms to form CSm6 octahedra that share corners with six equivalent CSm6 octahedra and faces with eight equivalent TlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Lu3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Lu–Tl bond lengths are 3.38 Å. Both Lu–C bond lengths are 2.39 Å. Tl is bonded to twelve equivalent Lu atoms to form TlLu12 cuboctahedra that share corners with twelve equivalent TlLu12 cuboctahedra, faces with six equivalent TlLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent TlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Y3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Y–Sn bond lengths are 3.46 Å. Both Y–C bond lengths are 2.45 Å. Sn is bonded to twelve equivalent Y atoms to form SnY12 cuboctahedra that share corners with twelve equivalent SnY12 cuboctahedra, faces with six equivalent SnY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent SnY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Lu3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Lu–Sn bond lengths are 3.36 Å. Both Lu–C bond lengths are 2.38 Å. Sn is bonded to twelve equivalent Lu atoms to form SnLu12 cuboctahedra that share corners with twelve equivalent SnLu12 cuboctahedra, faces with six equivalent SnLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent SnLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
PrPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr4+ is bonded in a 12-coordinate geometry to twelve equivalent Pt2- atoms. All Pr–Pt bond lengths are 3.25 Å. Pt2- is bonded to six equivalent Pr4+ and six equivalent Pt2- atoms to form a mixture of edge, corner, and face-sharing PtPr6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.77 Å.
LiSrP crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.48 Å. Sr2+ is bonded to six equivalent P3- atoms to form a mixture of distorted edge, corner, and face-sharing SrP6 pentagonal pyramids. All Sr–P bond lengths are 3.27 Å. P3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Sr2+ atoms.
LiBaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.63 Å. Ba2+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 pentagonal pyramids. All Ba–As bond lengths are 3.50 Å. As3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.