The material structure described by Sr2V2TlAlO7 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to one O(3) and four equivalent O(2) atoms to form SrO5 square pyramids that share corners with five equivalent Sr(1)O5 square pyramids, corners with four equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent Sr(1)O5 square pyramids. V(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent Sr(1)O5 square pyramids and corners with four equivalent V(1)O5 trigonal bipyramids. Tl(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. Al(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl2V2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one V(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2AlTlV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.751
_cell_length_b   3.751
_cell_length_c   13.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.149
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.500  0.500  0.818  1.0
  Sr  Sr1  1  0.500  0.500  0.182  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Tl  Tl3  1  0.000  0.000  0.000  1.0
  V  V4  1  0.000  0.000  0.639  1.0
  V  V5  1  0.000  0.000  0.361  1.0
  O  O6  1  0.500  0.000  0.592  1.0
  O  O7  1  0.000  0.500  0.592  1.0
  O  O8  1  0.500  0.000  0.408  1.0
  O  O9  1  0.000  0.500  0.408  1.0
  O  O10  1  0.000  0.000  0.785  1.0
  O  O11  1  0.000  0.000  0.215  1.0
  O  O12  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Sr2V2TlAlO7 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to one O(3) and four equivalent O(2) atoms to form SrO5 square pyramids that share corners with five equivalent Sr(1)O5 square pyramids, corners with four equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent Sr(1)O5 square pyramids. V(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent Sr(1)O5 square pyramids and corners with four equivalent V(1)O5 trigonal bipyramids. Tl(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. Al(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl2V2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one V(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2AlTlV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.751
_cell_length_b   3.751
_cell_length_c   13.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.149
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.500  0.500  0.818  1.0
  Sr  Sr1  1  0.500  0.500  0.182  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Tl  Tl3  1  0.000  0.000  0.000  1.0
  V  V4  1  0.000  0.000  0.639  1.0
  V  V5  1  0.000  0.000  0.361  1.0
  O  O6  1  0.500  0.000  0.592  1.0
  O  O7  1  0.000  0.500  0.592  1.0
  O  O8  1  0.500  0.000  0.408  1.0
  O  O9  1  0.000  0.500  0.408  1.0
  O  O10  1  0.000  0.000  0.785  1.0
  O  O11  1  0.000  0.000  0.215  1.0
  O  O12  1  0.500  0.500  0.000  1.0
[/CIF]
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