The compound described by K2InOBr5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Br(1), two equivalent Br(2), two equivalent Br(3), and three equivalent Br(4) atoms. In(1) is bonded in a 6-coordinate geometry to one O(1), one Br(1), one Br(2), one Br(3), and two equivalent Br(4) atoms. O(1) is bonded in a distorted L-shaped geometry to one In(1) and one Br(1) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one In(1), and one O(1) atom. In the second Br site, Br(2) is bonded to four equivalent K(1) and one In(1) atom to form a mixture of distorted edge, face, and corner-sharing BrK4In square pyramids. In the third Br site, Br(3) is bonded to four equivalent K(1) and one In(1) atom to form a mixture of edge, face, and corner-sharing BrK4In square pyramids. In the fourth Br site, Br(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent K(1) and one In(1) atom. is represented by the CIF card [CIF]
data_K2InBr5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   10.764
_cell_length_c   13.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1193.423
_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  0.139  0.487  0.354  1.0
  K  K1  1  0.361  0.013  0.854  1.0
  K  K2  1  0.861  0.987  0.646  1.0
  K  K3  1  0.639  0.513  0.146  1.0
  K  K4  1  0.861  0.513  0.646  1.0
  K  K5  1  0.639  0.987  0.146  1.0
  K  K6  1  0.139  0.013  0.354  1.0
  K  K7  1  0.361  0.487  0.854  1.0
  In  In8  1  0.226  0.750  0.103  1.0
  In  In9  1  0.274  0.750  0.603  1.0
  In  In10  1  0.774  0.250  0.897  1.0
  In  In11  1  0.726  0.250  0.397  1.0
  Br  Br12  1  0.896  0.750  0.198  1.0
  Br  Br13  1  0.604  0.750  0.698  1.0
  Br  Br14  1  0.104  0.250  0.802  1.0
  Br  Br15  1  0.396  0.250  0.302  1.0
  Br  Br16  1  0.377  0.750  0.278  1.0
  Br  Br17  1  0.123  0.750  0.778  1.0
  Br  Br18  1  0.623  0.250  0.722  1.0
  Br  Br19  1  0.877  0.250  0.222  1.0
  Br  Br20  1  0.484  0.750  0.986  1.0
  Br  Br21  1  0.016  0.750  0.486  1.0
  Br  Br22  1  0.516  0.250  0.014  1.0
  Br  Br23  1  0.984  0.250  0.514  1.0
  Br  Br24  1  0.201  0.503  0.097  1.0
  Br  Br25  1  0.299  0.997  0.597  1.0
  Br  Br26  1  0.799  0.003  0.903  1.0
  Br  Br27  1  0.701  0.497  0.403  1.0
  Br  Br28  1  0.799  0.497  0.903  1.0
  Br  Br29  1  0.701  0.003  0.403  1.0
  Br  Br30  1  0.201  0.997  0.097  1.0
  Br  Br31  1  0.299  0.503  0.597  1.0
  O  O32  1  0.001  0.750  0.025  1.0
  O  O33  1  0.499  0.750  0.525  1.0
  O  O34  1  0.999  0.250  0.975  1.0
  O  O35  1  0.501  0.250  0.475  1.0
[/CIF]
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The compound described by K2InOBr5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one Br(1), two equivalent Br(2), two equivalent Br(3), and three equivalent Br(4) atoms. In(1) is bonded in a 6-coordinate geometry to one O(1), one Br(1), one Br(2), one Br(3), and two equivalent Br(4) atoms. O(1) is bonded in a distorted L-shaped geometry to one In(1) and one Br(1) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one In(1), and one O(1) atom. In the second Br site, Br(2) is bonded to four equivalent K(1) and one In(1) atom to form a mixture of distorted edge, face, and corner-sharing BrK4In square pyramids. In the third Br site, Br(3) is bonded to four equivalent K(1) and one In(1) atom to form a mixture of edge, face, and corner-sharing BrK4In square pyramids. In the fourth Br site, Br(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent K(1) and one In(1) atom. is represented by the CIF card [CIF]
data_K2InBr5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   10.764
_cell_length_c   13.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1193.423
_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  0.139  0.487  0.354  1.0
  K  K1  1  0.361  0.013  0.854  1.0
  K  K2  1  0.861  0.987  0.646  1.0
  K  K3  1  0.639  0.513  0.146  1.0
  K  K4  1  0.861  0.513  0.646  1.0
  K  K5  1  0.639  0.987  0.146  1.0
  K  K6  1  0.139  0.013  0.354  1.0
  K  K7  1  0.361  0.487  0.854  1.0
  In  In8  1  0.226  0.750  0.103  1.0
  In  In9  1  0.274  0.750  0.603  1.0
  In  In10  1  0.774  0.250  0.897  1.0
  In  In11  1  0.726  0.250  0.397  1.0
  Br  Br12  1  0.896  0.750  0.198  1.0
  Br  Br13  1  0.604  0.750  0.698  1.0
  Br  Br14  1  0.104  0.250  0.802  1.0
  Br  Br15  1  0.396  0.250  0.302  1.0
  Br  Br16  1  0.377  0.750  0.278  1.0
  Br  Br17  1  0.123  0.750  0.778  1.0
  Br  Br18  1  0.623  0.250  0.722  1.0
  Br  Br19  1  0.877  0.250  0.222  1.0
  Br  Br20  1  0.484  0.750  0.986  1.0
  Br  Br21  1  0.016  0.750  0.486  1.0
  Br  Br22  1  0.516  0.250  0.014  1.0
  Br  Br23  1  0.984  0.250  0.514  1.0
  Br  Br24  1  0.201  0.503  0.097  1.0
  Br  Br25  1  0.299  0.997  0.597  1.0
  Br  Br26  1  0.799  0.003  0.903  1.0
  Br  Br27  1  0.701  0.497  0.403  1.0
  Br  Br28  1  0.799  0.497  0.903  1.0
  Br  Br29  1  0.701  0.003  0.403  1.0
  Br  Br30  1  0.201  0.997  0.097  1.0
  Br  Br31  1  0.299  0.503  0.597  1.0
  O  O32  1  0.001  0.750  0.025  1.0
  O  O33  1  0.499  0.750  0.525  1.0
  O  O34  1  0.999  0.250  0.975  1.0
  O  O35  1  0.501  0.250  0.475  1.0
[/CIF]
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