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TiAu 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 Au atoms. There are a spread of Ti–Au bond distances ranging from 2.84–2.92 Å. Au is bonded in a 8-coordinate geometry to eight equivalent Ti atoms.
NbPt is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nb2+ is bonded to eight equivalent Pt2- atoms to form distorted NbPt8 hexagonal bipyramids that share corners with eighteen equivalent PtNb8Pt4 cuboctahedra, corners with eight equivalent NbPt8 hexagonal bipyramids, edges with four equivalent PtNb8Pt4 cuboctahedra, edges with twelve equivalent NbPt8 hexagonal bipyramids, faces with two equivalent PtNb8Pt4 cuboctahedra, and faces with six equivalent NbPt8 hexagonal bipyramids. There are a spread of Nb–Pt bond distances ranging from 2.82–2.92 Å. Pt2- is bonded to eight equivalent Nb2+ and four equivalent Pt2- atoms to form distorted PtNb8Pt4 cuboctahedra that share corners with ten equivalent PtNb8Pt4 cuboctahedra, corners with eighteen equivalent NbPt8 hexagonal bipyramids, edges with six equivalent PtNb8Pt4 cuboctahedra, edges with four equivalent NbPt8 hexagonal bipyramids, faces with twelve equivalent PtNb8Pt4 cuboctahedra, and faces with two equivalent NbPt8 hexagonal bipyramids. There are two shorter (2.83 Å) and two longer (2.92 Å) Pt–Pt bond lengths.
PtMo is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mo2+ is bonded to eight equivalent Pt2- atoms to form distorted MoPt8 hexagonal bipyramids that share corners with eighteen equivalent PtMo8Pt4 cuboctahedra, corners with eight equivalent MoPt8 hexagonal bipyramids, edges with four equivalent PtMo8Pt4 cuboctahedra, edges with twelve equivalent MoPt8 hexagonal bipyramids, faces with two equivalent PtMo8Pt4 cuboctahedra, and faces with six equivalent MoPt8 hexagonal bipyramids. There are a spread of Mo–Pt bond distances ranging from 2.77–2.85 Å. Pt2- is bonded to eight equivalent Mo2+ and four equivalent Pt2- atoms to form PtMo8Pt4 cuboctahedra that share corners with ten equivalent PtMo8Pt4 cuboctahedra, corners with eighteen equivalent MoPt8 hexagonal bipyramids, edges with six equivalent PtMo8Pt4 cuboctahedra, edges with four equivalent MoPt8 hexagonal bipyramids, faces with twelve equivalent PtMo8Pt4 cuboctahedra, and faces with two equivalent MoPt8 hexagonal bipyramids. There are two shorter (2.76 Å) and two longer (2.79 Å) Pt–Pt bond lengths.
PtV is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. V2+ is bonded in a 8-coordinate geometry to eight equivalent Pt2- atoms. There are a spread of V–Pt bond distances ranging from 2.68–2.81 Å. Pt2- is bonded to eight equivalent V2+ and four equivalent Pt2- atoms to form a mixture of distorted corner, edge, and face-sharing PtV8Pt4 cuboctahedra. There are two shorter (2.71 Å) and two longer (2.81 Å) Pt–Pt bond lengths.
HfIr is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. There are six shorter (2.81 Å) and two longer (3.02 Å) Hf–Ir bond lengths. Ir is bonded in a distorted body-centered cubic geometry to eight equivalent Hf atoms.
EuZnGe crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.41 Å. There are four shorter (3.26 Å) and two longer (3.31 Å) Eu–Ge bond lengths. Zn is bonded in a 1-coordinate geometry to six equivalent Eu, two equivalent Zn, and one Ge atom. Both Zn–Zn bond lengths are 2.45 Å. The Zn–Ge bond length is 2.51 Å. Ge is bonded in a 1-coordinate geometry to six equivalent Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å.
Li2Ca3N6 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six N+1.33- atoms to form distorted face-sharing LiN6 octahedra. There are a spread of Li–N bond distances ranging from 2.12–2.57 Å. In the second Li1+ site, Li1+ is bonded to six N+1.33- atoms to form distorted face-sharing LiN6 octahedra. There are a spread of Li–N bond distances ranging from 2.10–2.51 Å. There are four inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight N+1.33- atoms. There are a spread of Ca–N bond distances ranging from 2.46–2.58 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight N+1.33- atoms. There are a spread of Ca–N bond distances ranging from 2.46–2.58 Å. In the third Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight N+1.33- atoms. There are a spread of Ca–N bond distances ranging from 2.37–2.65 Å. In the fourth Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight N+1.33- atoms. There are a spread of Ca–N bond distances ranging from 2.37–2.64 Å. There are six inequivalent N+1.33- sites. In the first N+1.33- site, N+1.33- is bonded in a 7-coordinate geometry to two equivalent Li1+, four Ca2+, and one N+1.33- atom. The N–N bond length is 1.31 Å. In the second N+1.33- site, N+1.33- is bonded in a 7-coordinate geometry to two equivalent Li1+, four Ca2+, and one N+1.33- atom. The N–N bond length is 1.32 Å. In the third N+1.33- site, N+1.33- is bonded in a 7-coordinate geometry to two equivalent Li1+, four Ca2+, and one N+1.33- atom. The N–N bond length is 1.32 Å. In the fourth N+1.33- site, N+1.33- is bonded in a 7-coordinate geometry to two equivalent Li1+, four Ca2+, and one N+1.33- atom. The N–N bond length is 1.30 Å. In the fifth N+1.33- site, N+1.33- is bonded in a 7-coordinate geometry to two equivalent Li1+, four Ca2+, and one N+1.33- atom. In the sixth N+1.33- site, N+1.33- is bonded in a 7-coordinate geometry to two equivalent Li1+, four Ca2+, and one N+1.33- atom.
FeTiH crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to six equivalent Fe and four equivalent H atoms. There are two shorter (2.50 Å) and four longer (2.60 Å) Ti–Fe bond lengths. All Ti–H bond lengths are 2.14 Å. Fe is bonded in a 2-coordinate geometry to six equivalent Ti and two equivalent H atoms. Both Fe–H bond lengths are 1.75 Å. H is bonded to four equivalent Ti and two equivalent Fe atoms to form a mixture of edge, corner, and face-sharing HTi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 65°.
MgSc is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Sc atoms to form distorted MgMg4Sc8 cuboctahedra that share corners with eight equivalent ScMg8Sc4 cuboctahedra, corners with ten equivalent MgMg4Sc8 cuboctahedra, edges with six equivalent MgMg4Sc8 cuboctahedra, edges with twelve equivalent ScMg8Sc4 cuboctahedra, faces with eight equivalent ScMg8Sc4 cuboctahedra, and faces with twelve equivalent MgMg4Sc8 cuboctahedra. There are two shorter (3.33 Å) and two longer (3.36 Å) Mg–Mg bond lengths. There are six shorter (3.15 Å) and two longer (3.17 Å) Mg–Sc bond lengths. Sc is bonded to eight equivalent Mg and four equivalent Sc atoms to form distorted ScMg8Sc4 cuboctahedra that share corners with eight equivalent MgMg4Sc8 cuboctahedra, corners with ten equivalent ScMg8Sc4 cuboctahedra, edges with six equivalent ScMg8Sc4 cuboctahedra, edges with twelve equivalent MgMg4Sc8 cuboctahedra, faces with eight equivalent MgMg4Sc8 cuboctahedra, and faces with twelve equivalent ScMg8Sc4 cuboctahedra. There are two shorter (3.34 Å) and two longer (3.36 Å) Sc–Sc bond lengths.
U2La2Se9 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of U–Se bond distances ranging from 2.87–3.07 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of La–Se bond distances ranging from 3.04–3.37 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.11–3.16 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted see-saw-like geometry to two equivalent U6+ and two equivalent La3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent U6+ and two La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa2U2 trigonal pyramids. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent U6+, two equivalent La3+, and two equivalent Se2- atoms. There are one shorter (2.68 Å) and one longer (2.73 Å) Se–Se bond lengths. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent U6+ and two equivalent La3+ atoms. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent U6+, two La3+, and two equivalent Se2- atoms. There are one shorter (2.78 Å) and one longer (2.80 Å) Se–Se bond lengths.
TaRuB crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 11-coordinate geometry to six Ru and five B atoms. There are four shorter (2.76 Å) and two longer (2.89 Å) Ta–Ru bond lengths. There are four shorter (2.40 Å) and one longer (2.66 Å) Ta–B bond lengths. In the second Ta site, Ta is bonded in a 11-coordinate geometry to six Ru and five B atoms. There are two shorter (2.73 Å) and four longer (2.76 Å) Ta–Ru bond lengths. There are four shorter (2.49 Å) and one longer (2.58 Å) Ta–B bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six Ta and three B atoms. There are two shorter (2.25 Å) and one longer (2.43 Å) Ru–B bond lengths. In the second Ru site, Ru is bonded in a 10-coordinate geometry to six Ta and four B atoms. There are two shorter (2.25 Å) and two longer (2.40 Å) Ru–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Ta, two Ru, and one B atom. The B–B bond length is 1.95 Å. In the second B site, B is bonded in a 9-coordinate geometry to three Ta and six Ru atoms.
B2CN crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one B2CN sheet oriented in the (0, 0, 1) direction. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to two equivalent C3- and two equivalent N3- atoms to form BC2N2 tetrahedra that share corners with four equivalent BC2N2 tetrahedra and corners with four equivalent CB2C2 tetrahedra. Both B–C bond lengths are 1.67 Å. Both B–N bond lengths are 1.56 Å. In the second B3+ site, B3+ is bonded in a water-like geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.54 Å. C3- is bonded to two equivalent B3+ and two equivalent C3- atoms to form CB2C2 tetrahedra that share corners with four equivalent BC2N2 tetrahedra, corners with four equivalent CB2C2 tetrahedra, and corners with four equivalent NB4 tetrahedra. Both C–C bond lengths are 1.50 Å. N3- is bonded to four B3+ atoms to form NB4 tetrahedra that share corners with four equivalent CB2C2 tetrahedra and corners with four equivalent NB4 tetrahedra.
MgMn is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing MgMn8 cuboctahedra. There are a spread of Mg–Mn bond distances ranging from 2.81–2.92 Å. Mn is bonded to eight equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing MnMg8 cuboctahedra.
MgGa is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.92–3.02 Å. Ga is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.
U5O12Cl crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are three inequivalent U5+ sites. In the first U5+ site, U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with three equivalent UO6 octahedra, corners with three UO7 pentagonal bipyramids, and edges with two UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 2–34°. There are a spread of U–O bond distances ranging from 2.08–2.29 Å. In the second U5+ site, U5+ is bonded to six O2- and one Cl1- atom to form distorted UClO6 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with three equivalent UClO6 pentagonal bipyramids, an edgeedge with one UO6 octahedra, and edges with two UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 38–42°. There are a spread of U–O bond distances ranging from 2.08–2.38 Å. The U–Cl bond length is 2.76 Å. In the third U5+ site, U5+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, edges with two equivalent UO6 octahedra, and edges with two equivalent UClO6 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 30°. There are a spread of U–O bond distances ranging from 2.08–2.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three U5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three U5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three U5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent U5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent U5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three U5+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent U5+ atoms. Cl1- is bonded in a 2-coordinate geometry to two equivalent U5+ atoms.
CaZn is Tetraauricupride structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. There are a spread of Ca–Zn bond distances ranging from 3.17–3.23 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
Ir crystallizes in the orthorhombic Pmma space group. The structure is one-dimensional and consists of two Ir ribbons oriented in the (1, 0, 0) direction. Ir is bonded in a linear geometry to two equivalent Ir atoms. Both Ir–Ir bond lengths are 2.28 Å.
Mn3Ni4Sb crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Mn, eight Ni, and two equivalent Sb atoms. Both Mn–Mn bond lengths are 2.81 Å. There are four shorter (2.58 Å) and four longer (2.60 Å) Mn–Ni bond lengths. Both Mn–Sb bond lengths are 2.87 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to two equivalent Mn and eight Ni atoms. There are a spread of Mn–Ni bond distances ranging from 2.51–2.66 Å. In the third Mn site, Mn is bonded in a 10-coordinate geometry to eight Ni and two equivalent Sb atoms. There are a spread of Mn–Ni bond distances ranging from 2.56–2.74 Å. Both Mn–Sb bond lengths are 2.83 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to six Mn and two equivalent Sb atoms. Both Ni–Sb bond lengths are 2.65 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six Mn and two equivalent Sb atoms. Both Ni–Sb bond lengths are 2.66 Å. Sb is bonded to four Mn and eight Ni atoms to form a mixture of corner, edge, and face-sharing SbMn4Ni8 cuboctahedra.