The material described by KZnO2Br3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent Br(2), two equivalent Br(3), and three equivalent Br(1) atoms. Zn(1) is bonded in a trigonal planar geometry to one Br(1), one Br(2), and one Br(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(1) and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one K(1) and one O(1) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Zn(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Zn(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZnBr3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.166
_cell_length_b   6.781
_cell_length_c   10.278
_cell_angle_alpha   79.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   902.581
_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
  K  K0  1  0.823  0.737  0.988  1.0
  K  K1  1  0.323  0.763  0.512  1.0
  K  K2  1  0.177  0.263  0.012  1.0
  K  K3  1  0.677  0.237  0.488  1.0
  Zn  Zn4  1  0.952  0.243  0.751  1.0
  Zn  Zn5  1  0.452  0.257  0.749  1.0
  Zn  Zn6  1  0.048  0.757  0.249  1.0
  Zn  Zn7  1  0.548  0.743  0.251  1.0
  Br  Br8  1  0.409  0.236  0.527  1.0
  Br  Br9  1  0.909  0.264  0.973  1.0
  Br  Br10  1  0.591  0.764  0.473  1.0
  Br  Br11  1  0.091  0.736  0.027  1.0
  Br  Br12  1  0.386  0.519  0.843  1.0
  Br  Br13  1  0.886  0.981  0.657  1.0
  Br  Br14  1  0.614  0.481  0.157  1.0
  Br  Br15  1  0.114  0.019  0.343  1.0
  Br  Br16  1  0.098  0.418  0.667  1.0
  Br  Br17  1  0.598  0.082  0.833  1.0
  Br  Br18  1  0.902  0.582  0.333  1.0
  Br  Br19  1  0.402  0.918  0.167  1.0
  O  O20  1  0.778  0.492  0.683  1.0
  O  O21  1  0.278  0.008  0.817  1.0
  O  O22  1  0.222  0.508  0.317  1.0
  O  O23  1  0.722  0.992  0.183  1.0
  O  O24  1  0.717  0.539  0.764  1.0
  O  O25  1  0.217  0.961  0.736  1.0
  O  O26  1  0.283  0.461  0.236  1.0
  O  O27  1  0.783  0.039  0.264  1.0
[/CIF]
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The material described by KZnO2Br3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent Br(2), two equivalent Br(3), and three equivalent Br(1) atoms. Zn(1) is bonded in a trigonal planar geometry to one Br(1), one Br(2), and one Br(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(1) and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one K(1) and one O(1) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Zn(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Zn(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZnBr3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.166
_cell_length_b   6.781
_cell_length_c   10.278
_cell_angle_alpha   79.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   902.581
_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
  K  K0  1  0.823  0.737  0.988  1.0
  K  K1  1  0.323  0.763  0.512  1.0
  K  K2  1  0.177  0.263  0.012  1.0
  K  K3  1  0.677  0.237  0.488  1.0
  Zn  Zn4  1  0.952  0.243  0.751  1.0
  Zn  Zn5  1  0.452  0.257  0.749  1.0
  Zn  Zn6  1  0.048  0.757  0.249  1.0
  Zn  Zn7  1  0.548  0.743  0.251  1.0
  Br  Br8  1  0.409  0.236  0.527  1.0
  Br  Br9  1  0.909  0.264  0.973  1.0
  Br  Br10  1  0.591  0.764  0.473  1.0
  Br  Br11  1  0.091  0.736  0.027  1.0
  Br  Br12  1  0.386  0.519  0.843  1.0
  Br  Br13  1  0.886  0.981  0.657  1.0
  Br  Br14  1  0.614  0.481  0.157  1.0
  Br  Br15  1  0.114  0.019  0.343  1.0
  Br  Br16  1  0.098  0.418  0.667  1.0
  Br  Br17  1  0.598  0.082  0.833  1.0
  Br  Br18  1  0.902  0.582  0.333  1.0
  Br  Br19  1  0.402  0.918  0.167  1.0
  O  O20  1  0.778  0.492  0.683  1.0
  O  O21  1  0.278  0.008  0.817  1.0
  O  O22  1  0.222  0.508  0.317  1.0
  O  O23  1  0.722  0.992  0.183  1.0
  O  O24  1  0.717  0.539  0.764  1.0
  O  O25  1  0.217  0.961  0.736  1.0
  O  O26  1  0.283  0.461  0.236  1.0
  O  O27  1  0.783  0.039  0.264  1.0
[/CIF]
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