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TbRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Ru atoms to form a mixture of face and corner-sharing TbRu12 cuboctahedra. All Tb–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Tb atoms.
ErRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ru atoms to form a mixture of face and corner-sharing ErRu12 cuboctahedra. All Er–Ru bond lengths are 2.85 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Er atoms.
Rh3La is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Rh atoms to form a mixture of face and corner-sharing LaRh12 cuboctahedra. All La–Rh bond lengths are 2.93 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent La atoms.
MgHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing MgHg12 cuboctahedra. All Mg–Hg bond lengths are 3.25 Å. Hg is bonded in a distorted square co-planar geometry to four equivalent Mg atoms.
GdPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing GdPb12 cuboctahedra. All Gd–Pb bond lengths are 3.48 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Gd atoms.
LiCu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Cu atoms to form a mixture of face and corner-sharing LiCu12 cuboctahedra. All Li–Cu bond lengths are 2.55 Å. Cu is bonded in a distorted square co-planar geometry to four equivalent Li atoms.
NaGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ga atoms to form a mixture of face and corner-sharing NaGa12 cuboctahedra. All Na–Ga bond lengths are 3.02 Å. Ga is bonded in a distorted square co-planar geometry to four equivalent Na atoms.
ThPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Pt atoms to form a mixture of corner and face-sharing ThPt12 cuboctahedra. All Th–Pt bond lengths are 3.00 Å. Pt is bonded in a distorted square co-planar geometry to four equivalent Th atoms.
NaCu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Cu atoms to form a mixture of face and corner-sharing NaCu12 cuboctahedra. All Na–Cu bond lengths are 2.71 Å. Cu is bonded in a distorted square co-planar geometry to four equivalent Na atoms.
SrMg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Mg atoms to form a mixture of corner and face-sharing SrMg12 cuboctahedra. All Sr–Mg bond lengths are 3.49 Å. Mg is bonded in a distorted square co-planar geometry to four equivalent Sr atoms.
SrIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent In atoms to form a mixture of corner and face-sharing SrIn12 cuboctahedra. All Sr–In bond lengths are 3.45 Å. In is bonded in a distorted square co-planar geometry to four equivalent Sr atoms.
LiGdO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.28 Å. Gd3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are four shorter (2.28 Å) and two longer (2.37 Å) Gd–O bond lengths. O2- is bonded to two equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Gd3 square pyramids.
PtN4OCl2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pt2+ is bonded in a square co-planar geometry to four equivalent N+0.50+ atoms. All Pt–N bond lengths are 1.96 Å. N+0.50+ is bonded in a 5-coordinate geometry to one Pt2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.53 Å. O2- is bonded in a 4-coordinate geometry to four equivalent Cl1- atoms. All O–Cl bond lengths are 2.88 Å. Cl1- is bonded in a 8-coordinate geometry to eight equivalent N+0.50+ and two equivalent O2- atoms.
NaLiTiAl(PO4)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.53 Å. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.07–2.54 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.94–1.96 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.82–2.01 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 25–36°. All P–O bond lengths are 1.55 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 25–35°. There are a spread of P–O bond distances ranging from 1.52–1.55 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 25–37°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 31–34°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ti4+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Al3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ti4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, one Li1+, one Al3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, two equivalent Li1+, one Al3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ti4+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, one Al3+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, one Li1+, one Al3+, and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom.
NaNb4Tl3P2O17 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.53 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with five NbO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–44°. There are a spread of Nb–O bond distances ranging from 1.89–2.23 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–37°. There are a spread of Nb–O bond distances ranging from 1.94–2.06 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four NbO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–39°. There are a spread of Nb–O bond distances ranging from 1.91–2.19 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.82–3.44 Å. In the second Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.72–2.97 Å. In the third Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.74–3.27 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three NbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three NbO6 octahedra. The corner-sharing octahedra tilt angles range from 25–41°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nb5+ and two Tl1+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, two Tl1+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Nb5+, one Tl1+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Nb5+ and one Tl1+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Tl1+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+, two equivalent Tl1+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ and one Tl1+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ and one Tl1+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, two Tl1+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+, one Tl1+, and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nb5+, one Tl1+, and one P5+ atom.
LiUN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. U5+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing UN6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.23 Å) and two longer (2.33 Å) U–N bond lengths. N3- is bonded to two equivalent Li1+ and three equivalent U5+ atoms to form a mixture of distorted edge and corner-sharing NLi2U3 square pyramids.
AuAsO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.02 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one As5+ atom.
Ba3LiTa3Ti5O21 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.87–2.63 Å. There are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.26 Å. In the second Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.22 Å. There are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with three TaO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–41°. There are a spread of Ti–O bond distances ranging from 1.89–2.17 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with three TiO6 octahedra, an edgeedge with one TiO6 octahedra, and an edgeedge with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–42°. There are a spread of Ti–O bond distances ranging from 1.89–2.18 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two TiO6 octahedra, corners with three TaO6 octahedra, and edges with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–42°. There are a spread of Ti–O bond distances ranging from 1.87–2.19 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with three TiO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–43°. There are a spread of Ta–O bond distances ranging from 1.96–2.06 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share a cornercorner with one TaO6 octahedra and corners with five TiO6 octahedra. The corner-sharing octahedra tilt angles range from 37–43°. There are a spread of Ta–O bond distances ranging from 1.97–2.02 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ti4+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and three Ti4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, two Ba2+, and two Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, one Ba2+, two equivalent Ti4+, and one Ta5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, two equivalent Ba2+, one Ti4+, and one Ta5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+, one Ti4+, and one Ta5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ba2+, one Ti4+, and one Ta5+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, two Ti4+, and one Ta5+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and three Ti4+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+ and two Ta5+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+, one Ti4+, and one Ta5+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ti4+, and one Ta5+ atom.