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AgCa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted square co-planar geometry to four equivalent Ag atoms. All Ca–Ag bond lengths are 3.59 Å. Ag is bonded to twelve equivalent Ca atoms to form a mixture of corner and face-sharing AgCa12 cuboctahedra.
Ba3Se is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted square co-planar geometry to four equivalent Se atoms. All Ba–Se bond lengths are 3.86 Å. Se is bonded to twelve equivalent Ba atoms to form a mixture of face and corner-sharing SeBa12 cuboctahedra.
Ac3Cl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted square co-planar geometry to four equivalent Cl atoms. All Ac–Cl bond lengths are 3.86 Å. Cl is bonded to twelve equivalent Ac atoms to form a mixture of corner and face-sharing ClAc12 cuboctahedra.
Ca3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted square co-planar geometry to four equivalent Sn atoms. All Ca–Sn bond lengths are 3.55 Å. Sn is bonded to twelve equivalent Ca atoms to form a mixture of corner and face-sharing SnCa12 cuboctahedra.
Ac3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted square co-planar geometry to four equivalent Au atoms. All Ac–Au bond lengths are 3.71 Å. Au is bonded to twelve equivalent Ac atoms to form a mixture of corner and face-sharing AuAc12 cuboctahedra.
Pt3ZnO4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.05 Å. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Zn–O bond lengths are 2.52 Å. O2- is bonded to three equivalent Pt2+ and two equivalent Zn2+ atoms to form a mixture of edge and corner-sharing OZn2Pt3 trigonal bipyramids.
LiDyF2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent F atoms. All Li–F bond lengths are 2.50 Å. Dy is bonded to six equivalent F atoms to form distorted edge-sharing DyF6 octahedra. There are two shorter (2.35 Å) and four longer (2.38 Å) Dy–F bond lengths. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Dy atoms.
LiScF2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent F atoms. All Li–F bond lengths are 2.26 Å. Sc is bonded to six equivalent F atoms to form distorted edge-sharing ScF6 octahedra. There are four shorter (2.26 Å) and two longer (2.28 Å) Sc–F bond lengths. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Sc atoms.
LiTbF2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent F atoms. All Li–F bond lengths are 2.50 Å. Tb is bonded to six equivalent F atoms to form distorted edge-sharing TbF6 octahedra. There are two shorter (2.37 Å) and four longer (2.39 Å) Tb–F bond lengths. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Tb atoms.
LiHoF2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent F atoms. All Li–F bond lengths are 2.45 Å. Ho is bonded to six equivalent F atoms to form distorted edge-sharing HoF6 octahedra. There are two shorter (2.34 Å) and four longer (2.38 Å) Ho–F bond lengths. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Ho atoms.
GdNd3Zr4O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Gd–O bond lengths are 2.30 Å. Nd3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are four shorter (2.34 Å) and two longer (2.35 Å) Nd–O bond lengths. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.26 Å) and two longer (2.33 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.26–2.29 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with sixteen OZr4 tetrahedra and edges with six ONdGdZr2 tetrahedra. In the second O2- site, O2- is bonded to one Gd3+, one Nd3+, and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing ONdGdZr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Nd3+ and two Zr4+ atoms to form a mixture of edge and corner-sharing ONd2Zr2 tetrahedra.
AgAlSiO4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ag1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are one shorter (2.32 Å) and two longer (2.34 Å) Ag–O bond lengths. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag1+, one Al3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one Al3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one Al3+, and one Si4+ atom.
Li2Fe4O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are two shorter (2.70 Å) and four longer (2.71 Å) Li–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 trigonal pyramids that share corners with six equivalent FeO6 octahedra and a cornercorner with one FeO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 64°. There is one shorter (1.82 Å) and three longer (1.93 Å) Fe–O bond length. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 trigonal pyramids and edges with three equivalent FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and three Fe3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and three Fe3+ atoms.
NaCr2FeO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are two shorter (2.55 Å) and four longer (2.72 Å) Na–O bond lengths. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.63 Å) and two longer (1.72 Å) Cr–O bond length. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There is two shorter (1.84 Å) and four longer (1.97 Å) Fe–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a 3-coordinate geometry to one Na, one Cr, and one Fe atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one Cr atom.
LiTi8O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.76 Å. There are two inequivalent Ti+3.12+ sites. In the first Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Ti–O bond distances ranging from 1.95–2.13 Å. In the second Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three shorter (1.91 Å) and three longer (2.12 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an octahedral geometry to six equivalent Ti+3.12+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Ti+3.12+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and three Ti+3.12+ atoms.
Mo(NBr2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo6+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Mo–Br bond lengths are 2.46 Å. N1- is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (3.52 Å) and four longer (3.70 Å) N–Br bond lengths. Br1- is bonded in a single-bond geometry to one Mo6+ and four equivalent N1- atoms.
Th2Tb2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded in a distorted pentagonal planar geometry to four equivalent Tb and five O atoms. All Th–Tb bond lengths are 4.32 Å. There are four shorter (2.23 Å) and one longer (2.24 Å) Th–O bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight equivalent Th and four equivalent Tb atoms to form TbTb4Th8 cuboctahedra that share corners with four equivalent TbTb4Th8 cuboctahedra, corners with sixteen equivalent OTb2Th2 tetrahedra, edges with eight equivalent OTb2Th2 tetrahedra, and faces with eight equivalent TbTb4Th8 cuboctahedra. All Tb–Tb bond lengths are 4.26 Å. In the second Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. All Tb–O bond lengths are 2.65 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Th and two equivalent Tb atoms to form distorted OTb2Th2 tetrahedra that share corners with four equivalent TbTb4Th8 cuboctahedra, corners with ten equivalent OTb2Th2 tetrahedra, edges with two equivalent TbTb4Th8 cuboctahedra, and edges with five equivalent OTb2Th2 tetrahedra. In the second O site, O is bonded in a linear geometry to two equivalent Th atoms.
NdY3Zr4O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Nd–O bond lengths are 2.34 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. All Y–O bond lengths are 2.27 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.30 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.26–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with sixteen OZr4 tetrahedra and edges with six ONdYZr2 tetrahedra. In the second O2- site, O2- is bonded to one Nd3+, one Y3+, and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing ONdYZr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Y3+ and two Zr4+ atoms to form a mixture of corner and edge-sharing OY2Zr2 tetrahedra.