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Pd2O is Cuprite structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Pd is bonded in a linear geometry to two equivalent O atoms. Both Pd–O bond lengths are 1.97 Å. O is bonded to four equivalent Pd atoms to form corner-sharing OPd4 tetrahedra.
CdCa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.34 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
Ba2PrSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. 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 PrO6 octahedra, and faces with four equivalent SbO6 octahedra. All Ba–O bond lengths are 3.08 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–O bond lengths are 2.34 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent PrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Pr3+, and one Sb5+ atom.
ThTaN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent N3- atoms to form ThN12 cuboctahedra that share corners with twelve equivalent ThN12 cuboctahedra, faces with six equivalent ThN12 cuboctahedra, and faces with eight equivalent TaN6 octahedra. All Th–N bond lengths are 2.87 Å. Ta5+ is bonded to six equivalent N3- atoms to form TaN6 octahedra that share corners with six equivalent TaN6 octahedra and faces with eight equivalent ThN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–N bond lengths are 2.03 Å. N3- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent Ta5+ atoms.
Sm2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with six equivalent OSm6 octahedra, corners with six equivalent OSm4 tetrahedra, edges with three equivalent OSm6 octahedra, and edges with three equivalent OSm4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–56°. In the second O2- site, O2- is bonded to six equivalent Sm3+ atoms to form OSm6 octahedra that share corners with twelve equivalent OSm4 tetrahedra, edges with six equivalent OSm6 octahedra, and edges with six equivalent OSm4 tetrahedra.
Ti4O5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ti+2.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Ti–O bond distances ranging from 2.01–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Ti+2.50+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Ti+2.50+ atoms.
Zr2O is Cuprite structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Zr is bonded in a linear geometry to two equivalent O atoms. Both Zr–O bond lengths are 2.11 Å. O is bonded to four equivalent Zr atoms to form corner-sharing OZr4 tetrahedra.
Ba3N crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one Ba3N ribbon oriented in the (0, 0, 1) direction. Ba is bonded in an L-shaped geometry to two equivalent N atoms. Both Ba–N bond lengths are 2.75 Å. N is bonded to six equivalent Ba atoms to form face-sharing NBa6 octahedra.
SmPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of edge and face-sharing SmP6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.13 Å. All Sm–P bond lengths are 3.13 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent P1- atoms. All Pt–P bond lengths are 2.41 Å. P1- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent Pt2- atoms.
TiRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.78 Å) and four longer (2.92 Å) Ti–Ru bond lengths. There are one shorter (2.61 Å) and four longer (2.63 Å) Ti–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.72 Å. There are two shorter (2.39 Å) and two longer (2.42 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Ru atoms.
RbSi crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Rb–Si bond distances ranging from 3.46–3.83 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six Si atoms. There are three shorter (3.58 Å) and three longer (3.83 Å) Rb–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Rb and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six Rb and three equivalent Si atoms. All Si–Si bond lengths are 2.44 Å.
Pa is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Pa atoms to form a mixture of face, edge, and corner-sharing PaPa12 cuboctahedra. All Pa–Pa bond lengths are 3.29 Å.
Pt2Si3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt2- is bonded in a 8-coordinate geometry to seven Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.65 Å. There are two inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded to four equivalent Pt2- atoms to form a mixture of corner and edge-sharing SiPt4 tetrahedra. In the second Si+1.33+ site, Si+1.33+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms.
Mg2Cu3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to nine equivalent Cu and three equivalent Si atoms. There are three shorter (2.84 Å) and six longer (2.92 Å) Mg–Cu bond lengths. All Mg–Si bond lengths are 2.94 Å. Cu is bonded to six equivalent Mg, four equivalent Cu, and two equivalent Si atoms to form CuMg6Cu4Si2 cuboctahedra that share corners with four equivalent SiMg6Cu6 cuboctahedra, corners with fourteen equivalent CuMg6Cu4Si2 cuboctahedra, edges with six equivalent CuMg6Cu4Si2 cuboctahedra, faces with six equivalent SiMg6Cu6 cuboctahedra, and faces with twelve equivalent CuMg6Cu4Si2 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.54 Å) Cu–Cu bond lengths. Both Cu–Si bond lengths are 2.45 Å. Si is bonded to six equivalent Mg and six equivalent Cu atoms to form SiMg6Cu6 cuboctahedra that share corners with twelve equivalent CuMg6Cu4Si2 cuboctahedra, edges with six equivalent SiMg6Cu6 cuboctahedra, faces with two equivalent SiMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuMg6Cu4Si2 cuboctahedra.
Cu3TaS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent S2- atoms to form TaS4 tetrahedra that share edges with six equivalent CuS4 tetrahedra. All Ta–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra and edges with two equivalent TaS4 tetrahedra. All Cu–S bond lengths are 2.38 Å. S2- is bonded to one Ta5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing STaCu3 tetrahedra.
SrCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Sb3- atoms to form a mixture of edge, face, and corner-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Sr–Sb bond lengths are 3.44 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.62 Å. Sb3- is bonded in a 3-coordinate geometry to six equivalent Sr2+ and three equivalent Cu1+ atoms.
Dy is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Dy atoms to form a mixture of face, edge, and corner-sharing DyDy12 cuboctahedra. All Dy–Dy bond lengths are 3.54 Å.
Dy is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded in a distorted body-centered cubic geometry to eight equivalent Dy atoms. All Dy–Dy bond lengths are 3.47 Å.