The structure described by Cs2Sr(VO3)4 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra and edges with eight equivalent V(1)O4 tetrahedra. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and edges with four equivalent Cs(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Cs2SrV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.070
_cell_length_b   8.070
_cell_length_c   5.708
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.707
_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
  Cs  Cs0  1  0.000  0.500  0.500  1.0
  Cs  Cs1  1  0.500  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.222  0.222  0.000  1.0
  V  V4  1  0.778  0.222  0.000  1.0
  V  V5  1  0.222  0.778  0.000  1.0
  V  V6  1  0.778  0.778  0.000  1.0
  O  O7  1  0.694  0.694  0.758  1.0
  O  O8  1  0.306  0.306  0.758  1.0
  O  O9  1  0.694  0.306  0.758  1.0
  O  O10  1  0.306  0.694  0.758  1.0
  O  O11  1  0.306  0.694  0.242  1.0
  O  O12  1  0.306  0.306  0.242  1.0
  O  O13  1  0.694  0.694  0.242  1.0
  O  O14  1  0.694  0.306  0.242  1.0
  O  O15  1  0.262  0.000  0.000  1.0
  O  O16  1  0.000  0.262  0.000  1.0
  O  O17  1  0.000  0.738  0.000  1.0
  O  O18  1  0.738  0.000  0.000  1.0
[/CIF]
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The structure described by Cs2Sr(VO3)4 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra and edges with eight equivalent V(1)O4 tetrahedra. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and edges with four equivalent Cs(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Cs2SrV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.070
_cell_length_b   8.070
_cell_length_c   5.708
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.707
_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
  Cs  Cs0  1  0.000  0.500  0.500  1.0
  Cs  Cs1  1  0.500  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.222  0.222  0.000  1.0
  V  V4  1  0.778  0.222  0.000  1.0
  V  V5  1  0.222  0.778  0.000  1.0
  V  V6  1  0.778  0.778  0.000  1.0
  O  O7  1  0.694  0.694  0.758  1.0
  O  O8  1  0.306  0.306  0.758  1.0
  O  O9  1  0.694  0.306  0.758  1.0
  O  O10  1  0.306  0.694  0.758  1.0
  O  O11  1  0.306  0.694  0.242  1.0
  O  O12  1  0.306  0.306  0.242  1.0
  O  O13  1  0.694  0.694  0.242  1.0
  O  O14  1  0.694  0.306  0.242  1.0
  O  O15  1  0.262  0.000  0.000  1.0
  O  O16  1  0.000  0.262  0.000  1.0
  O  O17  1  0.000  0.738  0.000  1.0
  O  O18  1  0.738  0.000  0.000  1.0
[/CIF]
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