The material described by SrH2OBr2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent Br(2), and four equivalent Br(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Sr(1), one H(1), and one H(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) atoms. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrH2Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.336
_cell_length_b   9.352
_cell_length_c   11.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.035
_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  0.387  0.689  1.0
  Sr  Sr1  1  0.250  0.113  0.189  1.0
  Sr  Sr2  1  0.750  0.613  0.311  1.0
  Sr  Sr3  1  0.750  0.887  0.811  1.0
  H  H4  1  0.750  0.306  0.879  1.0
  H  H5  1  0.750  0.194  0.379  1.0
  H  H6  1  0.250  0.694  0.121  1.0
  H  H7  1  0.250  0.806  0.621  1.0
  H  H8  1  0.750  0.473  0.878  1.0
  H  H9  1  0.750  0.027  0.378  1.0
  H  H10  1  0.250  0.527  0.122  1.0
  H  H11  1  0.250  0.973  0.622  1.0
  Br  Br12  1  0.750  0.613  0.601  1.0
  Br  Br13  1  0.750  0.887  0.101  1.0
  Br  Br14  1  0.250  0.387  0.399  1.0
  Br  Br15  1  0.250  0.113  0.899  1.0
  Br  Br16  1  0.750  0.154  0.616  1.0
  Br  Br17  1  0.750  0.346  0.116  1.0
  Br  Br18  1  0.250  0.846  0.384  1.0
  Br  Br19  1  0.250  0.654  0.884  1.0
  O  O20  1  0.750  0.389  0.826  1.0
  O  O21  1  0.750  0.111  0.326  1.0
  O  O22  1  0.250  0.611  0.174  1.0
  O  O23  1  0.250  0.889  0.674  1.0
[/CIF]
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The material described by SrH2OBr2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent Br(2), and four equivalent Br(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Sr(1), one H(1), and one H(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) atoms. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrH2Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.336
_cell_length_b   9.352
_cell_length_c   11.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.035
_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  0.387  0.689  1.0
  Sr  Sr1  1  0.250  0.113  0.189  1.0
  Sr  Sr2  1  0.750  0.613  0.311  1.0
  Sr  Sr3  1  0.750  0.887  0.811  1.0
  H  H4  1  0.750  0.306  0.879  1.0
  H  H5  1  0.750  0.194  0.379  1.0
  H  H6  1  0.250  0.694  0.121  1.0
  H  H7  1  0.250  0.806  0.621  1.0
  H  H8  1  0.750  0.473  0.878  1.0
  H  H9  1  0.750  0.027  0.378  1.0
  H  H10  1  0.250  0.527  0.122  1.0
  H  H11  1  0.250  0.973  0.622  1.0
  Br  Br12  1  0.750  0.613  0.601  1.0
  Br  Br13  1  0.750  0.887  0.101  1.0
  Br  Br14  1  0.250  0.387  0.399  1.0
  Br  Br15  1  0.250  0.113  0.899  1.0
  Br  Br16  1  0.750  0.154  0.616  1.0
  Br  Br17  1  0.750  0.346  0.116  1.0
  Br  Br18  1  0.250  0.846  0.384  1.0
  Br  Br19  1  0.250  0.654  0.884  1.0
  O  O20  1  0.750  0.389  0.826  1.0
  O  O21  1  0.750  0.111  0.326  1.0
  O  O22  1  0.250  0.611  0.174  1.0
  O  O23  1  0.250  0.889  0.674  1.0
[/CIF]
.