The material described by Cs3SbO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. Sb(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cs(2), four equivalent Cs(1), and one Sb(1) atom to form distorted corner-sharing OCs5Sb octahedra. The corner-sharing octahedral tilt angles are 50°. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(2), four equivalent Cs(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3SbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   9.238
_cell_length_c   12.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.683
_cell_formula_units_Z   4
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  0.702  0.007  0.146  1.0
  Cs  Cs1  1  0.798  0.493  0.646  1.0
  Cs  Cs2  1  0.298  0.507  0.854  1.0
  Cs  Cs3  1  0.202  0.993  0.354  1.0
  Cs  Cs4  1  0.298  0.993  0.854  1.0
  Cs  Cs5  1  0.202  0.507  0.354  1.0
  Cs  Cs6  1  0.702  0.493  0.146  1.0
  Cs  Cs7  1  0.798  0.007  0.646  1.0
  Cs  Cs8  1  0.150  0.250  0.076  1.0
  Cs  Cs9  1  0.350  0.250  0.576  1.0
  Cs  Cs10  1  0.850  0.750  0.924  1.0
  Cs  Cs11  1  0.650  0.750  0.424  1.0
  Sb  Sb12  1  0.275  0.750  0.113  1.0
  Sb  Sb13  1  0.225  0.750  0.613  1.0
  Sb  Sb14  1  0.725  0.250  0.887  1.0
  Sb  Sb15  1  0.775  0.250  0.387  1.0
  O  O16  1  0.432  0.750  0.234  1.0
  O  O17  1  0.068  0.750  0.734  1.0
  O  O18  1  0.568  0.250  0.766  1.0
  O  O19  1  0.932  0.250  0.266  1.0
  O  O20  1  0.444  0.750  0.996  1.0
  O  O21  1  0.056  0.750  0.496  1.0
  O  O22  1  0.556  0.250  0.004  1.0
  O  O23  1  0.944  0.250  0.504  1.0
  O  O24  1  0.119  0.581  0.112  1.0
  O  O25  1  0.381  0.919  0.612  1.0
  O  O26  1  0.881  0.081  0.888  1.0
  O  O27  1  0.619  0.419  0.388  1.0
  O  O28  1  0.881  0.419  0.888  1.0
  O  O29  1  0.619  0.081  0.388  1.0
  O  O30  1  0.119  0.919  0.112  1.0
  O  O31  1  0.381  0.581  0.612  1.0
[/CIF]
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The material described by Cs3SbO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. Sb(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cs(2), four equivalent Cs(1), and one Sb(1) atom to form distorted corner-sharing OCs5Sb octahedra. The corner-sharing octahedral tilt angles are 50°. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(2), four equivalent Cs(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3SbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   9.238
_cell_length_c   12.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.683
_cell_formula_units_Z   4
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  0.702  0.007  0.146  1.0
  Cs  Cs1  1  0.798  0.493  0.646  1.0
  Cs  Cs2  1  0.298  0.507  0.854  1.0
  Cs  Cs3  1  0.202  0.993  0.354  1.0
  Cs  Cs4  1  0.298  0.993  0.854  1.0
  Cs  Cs5  1  0.202  0.507  0.354  1.0
  Cs  Cs6  1  0.702  0.493  0.146  1.0
  Cs  Cs7  1  0.798  0.007  0.646  1.0
  Cs  Cs8  1  0.150  0.250  0.076  1.0
  Cs  Cs9  1  0.350  0.250  0.576  1.0
  Cs  Cs10  1  0.850  0.750  0.924  1.0
  Cs  Cs11  1  0.650  0.750  0.424  1.0
  Sb  Sb12  1  0.275  0.750  0.113  1.0
  Sb  Sb13  1  0.225  0.750  0.613  1.0
  Sb  Sb14  1  0.725  0.250  0.887  1.0
  Sb  Sb15  1  0.775  0.250  0.387  1.0
  O  O16  1  0.432  0.750  0.234  1.0
  O  O17  1  0.068  0.750  0.734  1.0
  O  O18  1  0.568  0.250  0.766  1.0
  O  O19  1  0.932  0.250  0.266  1.0
  O  O20  1  0.444  0.750  0.996  1.0
  O  O21  1  0.056  0.750  0.496  1.0
  O  O22  1  0.556  0.250  0.004  1.0
  O  O23  1  0.944  0.250  0.504  1.0
  O  O24  1  0.119  0.581  0.112  1.0
  O  O25  1  0.381  0.919  0.612  1.0
  O  O26  1  0.881  0.081  0.888  1.0
  O  O27  1  0.619  0.419  0.388  1.0
  O  O28  1  0.881  0.419  0.888  1.0
  O  O29  1  0.619  0.081  0.388  1.0
  O  O30  1  0.119  0.919  0.112  1.0
  O  O31  1  0.381  0.581  0.612  1.0
[/CIF]
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