The material described by Sr2VO4Br crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), four equivalent O(2), and two equivalent Br(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(2), four equivalent O(1), and two equivalent Br(1) atoms. V(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. Br(1) is bonded in a see-saw-like geometry to two equivalent Sr(1) and two equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2VBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   7.617
_cell_length_c   11.811
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.634
_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
  Sr  Sr0  1  0.625  0.250  0.000  1.0
  Sr  Sr1  1  0.375  0.750  0.000  1.0
  Sr  Sr2  1  0.375  0.750  0.500  1.0
  Sr  Sr3  1  0.625  0.250  0.500  1.0
  Sr  Sr4  1  0.122  0.031  0.250  1.0
  Sr  Sr5  1  0.878  0.969  0.750  1.0
  Sr  Sr6  1  0.878  0.531  0.250  1.0
  Sr  Sr7  1  0.122  0.469  0.750  1.0
  V  V8  1  0.125  0.250  0.000  1.0
  V  V9  1  0.875  0.750  0.000  1.0
  V  V10  1  0.875  0.750  0.500  1.0
  V  V11  1  0.125  0.250  0.500  1.0
  Br  Br12  1  0.472  0.324  0.250  1.0
  Br  Br13  1  0.528  0.676  0.750  1.0
  Br  Br14  1  0.528  0.824  0.250  1.0
  Br  Br15  1  0.472  0.176  0.750  1.0
  O  O16  1  0.032  0.771  0.119  1.0
  O  O17  1  0.968  0.229  0.881  1.0
  O  O18  1  0.968  0.229  0.619  1.0
  O  O19  1  0.968  0.271  0.381  1.0
  O  O20  1  0.032  0.771  0.381  1.0
  O  O21  1  0.032  0.729  0.619  1.0
  O  O22  1  0.032  0.729  0.881  1.0
  O  O23  1  0.968  0.271  0.119  1.0
  O  O24  1  0.281  0.072  0.028  1.0
  O  O25  1  0.719  0.928  0.972  1.0
  O  O26  1  0.719  0.928  0.528  1.0
  O  O27  1  0.719  0.572  0.472  1.0
  O  O28  1  0.281  0.072  0.472  1.0
  O  O29  1  0.281  0.428  0.528  1.0
  O  O30  1  0.281  0.428  0.972  1.0
  O  O31  1  0.719  0.572  0.028  1.0
[/CIF]
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The material described by Sr2VO4Br crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), four equivalent O(2), and two equivalent Br(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(2), four equivalent O(1), and two equivalent Br(1) atoms. V(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. Br(1) is bonded in a see-saw-like geometry to two equivalent Sr(1) and two equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2VBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   7.617
_cell_length_c   11.811
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.634
_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
  Sr  Sr0  1  0.625  0.250  0.000  1.0
  Sr  Sr1  1  0.375  0.750  0.000  1.0
  Sr  Sr2  1  0.375  0.750  0.500  1.0
  Sr  Sr3  1  0.625  0.250  0.500  1.0
  Sr  Sr4  1  0.122  0.031  0.250  1.0
  Sr  Sr5  1  0.878  0.969  0.750  1.0
  Sr  Sr6  1  0.878  0.531  0.250  1.0
  Sr  Sr7  1  0.122  0.469  0.750  1.0
  V  V8  1  0.125  0.250  0.000  1.0
  V  V9  1  0.875  0.750  0.000  1.0
  V  V10  1  0.875  0.750  0.500  1.0
  V  V11  1  0.125  0.250  0.500  1.0
  Br  Br12  1  0.472  0.324  0.250  1.0
  Br  Br13  1  0.528  0.676  0.750  1.0
  Br  Br14  1  0.528  0.824  0.250  1.0
  Br  Br15  1  0.472  0.176  0.750  1.0
  O  O16  1  0.032  0.771  0.119  1.0
  O  O17  1  0.968  0.229  0.881  1.0
  O  O18  1  0.968  0.229  0.619  1.0
  O  O19  1  0.968  0.271  0.381  1.0
  O  O20  1  0.032  0.771  0.381  1.0
  O  O21  1  0.032  0.729  0.619  1.0
  O  O22  1  0.032  0.729  0.881  1.0
  O  O23  1  0.968  0.271  0.119  1.0
  O  O24  1  0.281  0.072  0.028  1.0
  O  O25  1  0.719  0.928  0.972  1.0
  O  O26  1  0.719  0.928  0.528  1.0
  O  O27  1  0.719  0.572  0.472  1.0
  O  O28  1  0.281  0.072  0.472  1.0
  O  O29  1  0.281  0.428  0.528  1.0
  O  O30  1  0.281  0.428  0.972  1.0
  O  O31  1  0.719  0.572  0.028  1.0
[/CIF]
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