The material described by KBiN(OCl)3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), one Cl(2), one Cl(3), and three equivalent Cl(1) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. N(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Bi(1), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Bi(1), and one N(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one K(1) and one N(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Bi(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1) and two equivalent Bi(1) atoms. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_KBiN(ClO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.531
_cell_length_b   10.022
_cell_length_c   10.452
_cell_angle_alpha   67.525
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.823
_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  0.585  0.643  0.195  1.0
  K  K1  1  0.415  0.357  0.805  1.0
  K  K2  1  0.915  0.643  0.695  1.0
  K  K3  1  0.085  0.357  0.305  1.0
  Bi  Bi4  1  0.080  0.864  0.223  1.0
  Bi  Bi5  1  0.580  0.136  0.277  1.0
  Bi  Bi6  1  0.920  0.136  0.777  1.0
  Bi  Bi7  1  0.420  0.864  0.723  1.0
  N  N8  1  0.780  0.325  0.943  1.0
  N  N9  1  0.720  0.325  0.443  1.0
  N  N10  1  0.220  0.675  0.057  1.0
  N  N11  1  0.280  0.675  0.557  1.0
  Cl  Cl12  1  0.592  0.649  0.871  1.0
  Cl  Cl13  1  0.872  0.864  0.033  1.0
  Cl  Cl14  1  0.092  0.351  0.629  1.0
  Cl  Cl15  1  0.628  0.864  0.533  1.0
  Cl  Cl16  1  0.439  0.959  0.191  1.0
  Cl  Cl17  1  0.128  0.136  0.967  1.0
  Cl  Cl18  1  0.561  0.041  0.809  1.0
  Cl  Cl19  1  0.372  0.136  0.467  1.0
  Cl  Cl20  1  0.908  0.649  0.371  1.0
  Cl  Cl21  1  0.939  0.041  0.309  1.0
  Cl  Cl22  1  0.061  0.959  0.691  1.0
  Cl  Cl23  1  0.408  0.351  0.129  1.0
  O  O24  1  0.267  0.650  0.689  1.0
  O  O25  1  0.205  0.784  0.474  1.0
  O  O26  1  0.767  0.350  0.811  1.0
  O  O27  1  0.138  0.595  0.019  1.0
  O  O28  1  0.295  0.784  0.974  1.0
  O  O29  1  0.795  0.216  0.526  1.0
  O  O30  1  0.362  0.595  0.519  1.0
  O  O31  1  0.862  0.405  0.981  1.0
  O  O32  1  0.705  0.216  0.026  1.0
  O  O33  1  0.233  0.650  0.189  1.0
  O  O34  1  0.638  0.405  0.481  1.0
  O  O35  1  0.733  0.350  0.311  1.0
[/CIF]
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The material described by KBiN(OCl)3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), one Cl(2), one Cl(3), and three equivalent Cl(1) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. N(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Bi(1), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Bi(1), and one N(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one K(1) and one N(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Bi(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1) and two equivalent Bi(1) atoms. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_KBiN(ClO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.531
_cell_length_b   10.022
_cell_length_c   10.452
_cell_angle_alpha   67.525
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.823
_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  0.585  0.643  0.195  1.0
  K  K1  1  0.415  0.357  0.805  1.0
  K  K2  1  0.915  0.643  0.695  1.0
  K  K3  1  0.085  0.357  0.305  1.0
  Bi  Bi4  1  0.080  0.864  0.223  1.0
  Bi  Bi5  1  0.580  0.136  0.277  1.0
  Bi  Bi6  1  0.920  0.136  0.777  1.0
  Bi  Bi7  1  0.420  0.864  0.723  1.0
  N  N8  1  0.780  0.325  0.943  1.0
  N  N9  1  0.720  0.325  0.443  1.0
  N  N10  1  0.220  0.675  0.057  1.0
  N  N11  1  0.280  0.675  0.557  1.0
  Cl  Cl12  1  0.592  0.649  0.871  1.0
  Cl  Cl13  1  0.872  0.864  0.033  1.0
  Cl  Cl14  1  0.092  0.351  0.629  1.0
  Cl  Cl15  1  0.628  0.864  0.533  1.0
  Cl  Cl16  1  0.439  0.959  0.191  1.0
  Cl  Cl17  1  0.128  0.136  0.967  1.0
  Cl  Cl18  1  0.561  0.041  0.809  1.0
  Cl  Cl19  1  0.372  0.136  0.467  1.0
  Cl  Cl20  1  0.908  0.649  0.371  1.0
  Cl  Cl21  1  0.939  0.041  0.309  1.0
  Cl  Cl22  1  0.061  0.959  0.691  1.0
  Cl  Cl23  1  0.408  0.351  0.129  1.0
  O  O24  1  0.267  0.650  0.689  1.0
  O  O25  1  0.205  0.784  0.474  1.0
  O  O26  1  0.767  0.350  0.811  1.0
  O  O27  1  0.138  0.595  0.019  1.0
  O  O28  1  0.295  0.784  0.974  1.0
  O  O29  1  0.795  0.216  0.526  1.0
  O  O30  1  0.362  0.595  0.519  1.0
  O  O31  1  0.862  0.405  0.981  1.0
  O  O32  1  0.705  0.216  0.026  1.0
  O  O33  1  0.233  0.650  0.189  1.0
  O  O34  1  0.638  0.405  0.481  1.0
  O  O35  1  0.733  0.350  0.311  1.0
[/CIF]
.