The material described by KB3SeO7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one K(1), one B(1), and one B(2) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(2), and one B(3) atom. In the third O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(2), and one B(3) atom. In the fourth O site, O(7) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one B(1), and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1), one B(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KB3SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.864
_cell_length_b   4.677
_cell_length_c   8.784
_cell_angle_alpha   83.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.884
_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  0.604  0.321  0.937  1.0
  K  K1  1  0.104  0.679  0.563  1.0
  K  K2  1  0.396  0.679  0.063  1.0
  K  K3  1  0.896  0.321  0.437  1.0
  B  B4  1  0.392  0.293  0.724  1.0
  B  B5  1  0.892  0.707  0.776  1.0
  B  B6  1  0.608  0.707  0.276  1.0
  B  B7  1  0.108  0.293  0.224  1.0
  B  B8  1  0.263  0.470  0.761  1.0
  B  B9  1  0.763  0.530  0.739  1.0
  B  B10  1  0.737  0.530  0.239  1.0
  B  B11  1  0.237  0.470  0.261  1.0
  B  B12  1  0.189  0.472  0.004  1.0
  B  B13  1  0.689  0.528  0.496  1.0
  B  B14  1  0.811  0.528  0.996  1.0
  B  B15  1  0.311  0.472  0.504  1.0
  Se  Se16  1  0.485  0.800  0.687  1.0
  Se  Se17  1  0.985  0.200  0.813  1.0
  Se  Se18  1  0.515  0.200  0.313  1.0
  Se  Se19  1  0.015  0.800  0.187  1.0
  O  O20  1  0.406  0.980  0.762  1.0
  O  O21  1  0.906  0.020  0.738  1.0
  O  O22  1  0.594  0.020  0.238  1.0
  O  O23  1  0.094  0.980  0.262  1.0
  O  O24  1  0.555  0.860  0.801  1.0
  O  O25  1  0.055  0.140  0.699  1.0
  O  O26  1  0.445  0.140  0.199  1.0
  O  O27  1  0.945  0.860  0.301  1.0
  O  O28  1  0.460  0.449  0.773  1.0
  O  O29  1  0.960  0.551  0.727  1.0
  O  O30  1  0.540  0.551  0.227  1.0
  O  O31  1  0.040  0.449  0.273  1.0
  O  O32  1  0.328  0.356  0.820  1.0
  O  O33  1  0.828  0.644  0.680  1.0
  O  O34  1  0.672  0.644  0.180  1.0
  O  O35  1  0.172  0.356  0.320  1.0
  O  O36  1  0.254  0.539  0.603  1.0
  O  O37  1  0.754  0.461  0.897  1.0
  O  O38  1  0.746  0.461  0.397  1.0
  O  O39  1  0.246  0.539  0.103  1.0
  O  O40  1  0.201  0.518  0.848  1.0
  O  O41  1  0.701  0.482  0.652  1.0
  O  O42  1  0.799  0.482  0.152  1.0
  O  O43  1  0.299  0.518  0.348  1.0
  O  O44  1  0.122  0.370  0.059  1.0
  O  O45  1  0.622  0.630  0.441  1.0
  O  O46  1  0.878  0.630  0.941  1.0
  O  O47  1  0.378  0.370  0.559  1.0
[/CIF]
.
The material described by KB3SeO7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one K(1), one B(1), and one B(2) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(2), and one B(3) atom. In the third O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(2), and one B(3) atom. In the fourth O site, O(7) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one B(1), and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1), one B(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KB3SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.864
_cell_length_b   4.677
_cell_length_c   8.784
_cell_angle_alpha   83.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.884
_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  0.604  0.321  0.937  1.0
  K  K1  1  0.104  0.679  0.563  1.0
  K  K2  1  0.396  0.679  0.063  1.0
  K  K3  1  0.896  0.321  0.437  1.0
  B  B4  1  0.392  0.293  0.724  1.0
  B  B5  1  0.892  0.707  0.776  1.0
  B  B6  1  0.608  0.707  0.276  1.0
  B  B7  1  0.108  0.293  0.224  1.0
  B  B8  1  0.263  0.470  0.761  1.0
  B  B9  1  0.763  0.530  0.739  1.0
  B  B10  1  0.737  0.530  0.239  1.0
  B  B11  1  0.237  0.470  0.261  1.0
  B  B12  1  0.189  0.472  0.004  1.0
  B  B13  1  0.689  0.528  0.496  1.0
  B  B14  1  0.811  0.528  0.996  1.0
  B  B15  1  0.311  0.472  0.504  1.0
  Se  Se16  1  0.485  0.800  0.687  1.0
  Se  Se17  1  0.985  0.200  0.813  1.0
  Se  Se18  1  0.515  0.200  0.313  1.0
  Se  Se19  1  0.015  0.800  0.187  1.0
  O  O20  1  0.406  0.980  0.762  1.0
  O  O21  1  0.906  0.020  0.738  1.0
  O  O22  1  0.594  0.020  0.238  1.0
  O  O23  1  0.094  0.980  0.262  1.0
  O  O24  1  0.555  0.860  0.801  1.0
  O  O25  1  0.055  0.140  0.699  1.0
  O  O26  1  0.445  0.140  0.199  1.0
  O  O27  1  0.945  0.860  0.301  1.0
  O  O28  1  0.460  0.449  0.773  1.0
  O  O29  1  0.960  0.551  0.727  1.0
  O  O30  1  0.540  0.551  0.227  1.0
  O  O31  1  0.040  0.449  0.273  1.0
  O  O32  1  0.328  0.356  0.820  1.0
  O  O33  1  0.828  0.644  0.680  1.0
  O  O34  1  0.672  0.644  0.180  1.0
  O  O35  1  0.172  0.356  0.320  1.0
  O  O36  1  0.254  0.539  0.603  1.0
  O  O37  1  0.754  0.461  0.897  1.0
  O  O38  1  0.746  0.461  0.397  1.0
  O  O39  1  0.246  0.539  0.103  1.0
  O  O40  1  0.201  0.518  0.848  1.0
  O  O41  1  0.701  0.482  0.652  1.0
  O  O42  1  0.799  0.482  0.152  1.0
  O  O43  1  0.299  0.518  0.348  1.0
  O  O44  1  0.122  0.370  0.059  1.0
  O  O45  1  0.622  0.630  0.441  1.0
  O  O46  1  0.878  0.630  0.941  1.0
  O  O47  1  0.378  0.370  0.559  1.0
[/CIF]
.