The structure described by SrOBr2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1), three equivalent Br(2), and four equivalent Br(1) atoms. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1), one Br(1), and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one O(1) atom. In the second Br site, Br(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one O(1) atom. is represented by the CIF card [CIF]
data_SrBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.836
_cell_length_b   8.312
_cell_length_c   11.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.894
_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  0.250  0.114  0.817  1.0
  Sr  Sr1  1  0.250  0.386  0.317  1.0
  Sr  Sr2  1  0.750  0.886  0.183  1.0
  Sr  Sr3  1  0.750  0.614  0.683  1.0
  Br  Br4  1  0.250  0.371  0.604  1.0
  Br  Br5  1  0.250  0.129  0.104  1.0
  Br  Br6  1  0.750  0.629  0.396  1.0
  Br  Br7  1  0.750  0.871  0.896  1.0
  Br  Br8  1  0.250  0.642  0.112  1.0
  Br  Br9  1  0.250  0.858  0.612  1.0
  Br  Br10  1  0.750  0.358  0.888  1.0
  Br  Br11  1  0.750  0.142  0.388  1.0
  O  O12  1  0.250  0.615  0.742  1.0
  O  O13  1  0.250  0.885  0.242  1.0
  O  O14  1  0.750  0.385  0.258  1.0
  O  O15  1  0.750  0.115  0.758  1.0
[/CIF]
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The structure described by SrOBr2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1), three equivalent Br(2), and four equivalent Br(1) atoms. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1), one Br(1), and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one O(1) atom. In the second Br site, Br(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one O(1) atom. is represented by the CIF card [CIF]
data_SrBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.836
_cell_length_b   8.312
_cell_length_c   11.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.894
_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  0.250  0.114  0.817  1.0
  Sr  Sr1  1  0.250  0.386  0.317  1.0
  Sr  Sr2  1  0.750  0.886  0.183  1.0
  Sr  Sr3  1  0.750  0.614  0.683  1.0
  Br  Br4  1  0.250  0.371  0.604  1.0
  Br  Br5  1  0.250  0.129  0.104  1.0
  Br  Br6  1  0.750  0.629  0.396  1.0
  Br  Br7  1  0.750  0.871  0.896  1.0
  Br  Br8  1  0.250  0.642  0.112  1.0
  Br  Br9  1  0.250  0.858  0.612  1.0
  Br  Br10  1  0.750  0.358  0.888  1.0
  Br  Br11  1  0.750  0.142  0.388  1.0
  O  O12  1  0.250  0.615  0.742  1.0
  O  O13  1  0.250  0.885  0.242  1.0
  O  O14  1  0.750  0.385  0.258  1.0
  O  O15  1  0.750  0.115  0.758  1.0
[/CIF]
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