The material described by SrBrI is Cotunnite-derived structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 7-coordinate geometry to four equivalent I(1) and three equivalent Br(1) atoms. I(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing ISr4 tetrahedra. Br(1) is bonded in a trigonal non-coplanar geometry to three equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_SrIBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   8.169
_cell_length_c   11.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.448
_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  0.750  0.280  0.579  1.0
  Sr  Sr1  1  0.750  0.780  0.921  1.0
  Sr  Sr2  1  0.250  0.720  0.421  1.0
  Sr  Sr3  1  0.250  0.220  0.079  1.0
  I  I4  1  0.750  0.367  0.890  1.0
  I  I5  1  0.750  0.867  0.610  1.0
  I  I6  1  0.250  0.633  0.110  1.0
  I  I7  1  0.250  0.133  0.390  1.0
  Br  Br8  1  0.750  0.518  0.363  1.0
  Br  Br9  1  0.750  0.018  0.137  1.0
  Br  Br10  1  0.250  0.482  0.637  1.0
  Br  Br11  1  0.250  0.982  0.863  1.0
[/CIF]
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The material described by SrBrI is Cotunnite-derived structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 7-coordinate geometry to four equivalent I(1) and three equivalent Br(1) atoms. I(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing ISr4 tetrahedra. Br(1) is bonded in a trigonal non-coplanar geometry to three equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_SrIBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   8.169
_cell_length_c   11.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.448
_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  0.750  0.280  0.579  1.0
  Sr  Sr1  1  0.750  0.780  0.921  1.0
  Sr  Sr2  1  0.250  0.720  0.421  1.0
  Sr  Sr3  1  0.250  0.220  0.079  1.0
  I  I4  1  0.750  0.367  0.890  1.0
  I  I5  1  0.750  0.867  0.610  1.0
  I  I6  1  0.250  0.633  0.110  1.0
  I  I7  1  0.250  0.133  0.390  1.0
  Br  Br8  1  0.750  0.518  0.363  1.0
  Br  Br9  1  0.750  0.018  0.137  1.0
  Br  Br10  1  0.250  0.482  0.637  1.0
  Br  Br11  1  0.250  0.982  0.863  1.0
[/CIF]
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