The crystal structure described by Sr2MgCu(OBr)2 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing SrO4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent O(2), one Br(2), and four equivalent Br(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent Br(2) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Mg(1), and two equivalent Cu(1) atoms to form corner-sharing OSr2MgCu2 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Sr(1) and two equivalent Sr(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to four equivalent Sr(2) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Sr(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Sr2MgCu(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.745
_cell_length_b   4.784
_cell_length_c   11.652
_cell_angle_alpha   98.276
_cell_angle_beta   99.199
_cell_angle_gamma   89.936
_symmetry_Int_Tables_number   1
_cell_volume   203.900
_cell_formula_units_Z   1
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  0.510  0.493  0.017  1.0
  Sr  Sr1  1  0.358  0.402  0.725  1.0
  Mg  Mg2  1  0.648  0.024  0.296  1.0
  Cu  Cu3  1  0.060  0.020  0.115  1.0
  Br  Br4  1  0.814  0.872  0.640  1.0
  Br  Br5  1  0.208  0.303  0.421  1.0
  O  O6  1  0.562  0.036  0.121  1.0
  O  O7  1  0.939  0.450  0.877  1.0
[/CIF]
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The crystal structure described by Sr2MgCu(OBr)2 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing SrO4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent O(2), one Br(2), and four equivalent Br(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent Br(2) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Mg(1), and two equivalent Cu(1) atoms to form corner-sharing OSr2MgCu2 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Sr(1) and two equivalent Sr(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to four equivalent Sr(2) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Sr(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Sr2MgCu(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.745
_cell_length_b   4.784
_cell_length_c   11.652
_cell_angle_alpha   98.276
_cell_angle_beta   99.199
_cell_angle_gamma   89.936
_symmetry_Int_Tables_number   1
_cell_volume   203.900
_cell_formula_units_Z   1
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  0.510  0.493  0.017  1.0
  Sr  Sr1  1  0.358  0.402  0.725  1.0
  Mg  Mg2  1  0.648  0.024  0.296  1.0
  Cu  Cu3  1  0.060  0.020  0.115  1.0
  Br  Br4  1  0.814  0.872  0.640  1.0
  Br  Br5  1  0.208  0.303  0.421  1.0
  O  O6  1  0.562  0.036  0.121  1.0
  O  O7  1  0.939  0.450  0.877  1.0
[/CIF]
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