The structure described by Sr4OBr6 crystallizes in the tetragonal P4_2/nmc space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent Br(2), and four equivalent Br(1) atoms. O(1) is bonded to four equivalent Sr(1) atoms to form distorted OSr4 tetrahedra that share corners with eight equivalent Br(1)Sr4 tetrahedra, corners with eight equivalent Br(2)Sr4 tetrahedra, and edges with four equivalent Br(1)Sr4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Sr(1) atoms to form distorted BrSr4 tetrahedra that share corners with two equivalent O(1)Sr4 tetrahedra, corners with four equivalent Br(2)Sr4 tetrahedra, corners with eight equivalent Br(1)Sr4 tetrahedra,  an edgeedge with one O(1)Sr4 tetrahedra, edges with two equivalent Br(1)Sr4 tetrahedra, and edges with two equivalent Br(2)Sr4 tetrahedra. In the second Br site, Br(2) is bonded to four equivalent Sr(1) atoms to form BrSr4 tetrahedra that share corners with four equivalent O(1)Sr4 tetrahedra, corners with eight equivalent Br(1)Sr4 tetrahedra, edges with two equivalent Br(2)Sr4 tetrahedra, and edges with four equivalent Br(1)Sr4 tetrahedra. is represented by the CIF card [CIF]
data_Sr4Br6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.746
_cell_length_b   9.746
_cell_length_c   7.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.962
_cell_formula_units_Z   2
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  0.000  0.232  0.343  1.0
  Sr  Sr1  1  0.732  0.500  0.843  1.0
  Sr  Sr2  1  0.268  0.500  0.843  1.0
  Sr  Sr3  1  0.000  0.768  0.343  1.0
  Sr  Sr4  1  0.500  0.732  0.157  1.0
  Sr  Sr5  1  0.232  0.000  0.657  1.0
  Sr  Sr6  1  0.768  0.000  0.657  1.0
  Sr  Sr7  1  0.500  0.268  0.157  1.0
  Br  Br8  1  0.703  0.297  0.500  1.0
  Br  Br9  1  0.297  0.297  0.500  1.0
  Br  Br10  1  0.000  0.500  0.611  1.0
  Br  Br11  1  0.000  0.500  0.111  1.0
  Br  Br12  1  0.297  0.703  0.500  1.0
  Br  Br13  1  0.703  0.703  0.500  1.0
  Br  Br14  1  0.797  0.797  0.000  1.0
  Br  Br15  1  0.203  0.797  0.000  1.0
  Br  Br16  1  0.500  0.000  0.889  1.0
  Br  Br17  1  0.500  0.000  0.389  1.0
  Br  Br18  1  0.797  0.203  0.000  1.0
  Br  Br19  1  0.203  0.203  0.000  1.0
  O  O20  1  0.500  0.500  0.000  1.0
  O  O21  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by Sr4OBr6 crystallizes in the tetragonal P4_2/nmc space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent Br(2), and four equivalent Br(1) atoms. O(1) is bonded to four equivalent Sr(1) atoms to form distorted OSr4 tetrahedra that share corners with eight equivalent Br(1)Sr4 tetrahedra, corners with eight equivalent Br(2)Sr4 tetrahedra, and edges with four equivalent Br(1)Sr4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Sr(1) atoms to form distorted BrSr4 tetrahedra that share corners with two equivalent O(1)Sr4 tetrahedra, corners with four equivalent Br(2)Sr4 tetrahedra, corners with eight equivalent Br(1)Sr4 tetrahedra,  an edgeedge with one O(1)Sr4 tetrahedra, edges with two equivalent Br(1)Sr4 tetrahedra, and edges with two equivalent Br(2)Sr4 tetrahedra. In the second Br site, Br(2) is bonded to four equivalent Sr(1) atoms to form BrSr4 tetrahedra that share corners with four equivalent O(1)Sr4 tetrahedra, corners with eight equivalent Br(1)Sr4 tetrahedra, edges with two equivalent Br(2)Sr4 tetrahedra, and edges with four equivalent Br(1)Sr4 tetrahedra. is represented by the CIF card [CIF]
data_Sr4Br6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.746
_cell_length_b   9.746
_cell_length_c   7.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.962
_cell_formula_units_Z   2
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  0.000  0.232  0.343  1.0
  Sr  Sr1  1  0.732  0.500  0.843  1.0
  Sr  Sr2  1  0.268  0.500  0.843  1.0
  Sr  Sr3  1  0.000  0.768  0.343  1.0
  Sr  Sr4  1  0.500  0.732  0.157  1.0
  Sr  Sr5  1  0.232  0.000  0.657  1.0
  Sr  Sr6  1  0.768  0.000  0.657  1.0
  Sr  Sr7  1  0.500  0.268  0.157  1.0
  Br  Br8  1  0.703  0.297  0.500  1.0
  Br  Br9  1  0.297  0.297  0.500  1.0
  Br  Br10  1  0.000  0.500  0.611  1.0
  Br  Br11  1  0.000  0.500  0.111  1.0
  Br  Br12  1  0.297  0.703  0.500  1.0
  Br  Br13  1  0.703  0.703  0.500  1.0
  Br  Br14  1  0.797  0.797  0.000  1.0
  Br  Br15  1  0.203  0.797  0.000  1.0
  Br  Br16  1  0.500  0.000  0.889  1.0
  Br  Br17  1  0.500  0.000  0.389  1.0
  Br  Br18  1  0.797  0.203  0.000  1.0
  Br  Br19  1  0.203  0.203  0.000  1.0
  O  O20  1  0.500  0.500  0.000  1.0
  O  O21  1  0.000  0.000  0.500  1.0
[/CIF]
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