The material described by CuBi2(SeO3)4 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(6) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Bi(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuBi2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.463
_cell_length_b   8.180
_cell_length_c   10.834
_cell_angle_alpha   69.390
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.068
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.885  0.748  0.399  1.0
  Bi  Bi3  1  0.385  0.752  0.601  1.0
  Bi  Bi4  1  0.115  0.252  0.601  1.0
  Bi  Bi5  1  0.615  0.248  0.399  1.0
  Se  Se6  1  0.828  0.855  0.687  1.0
  Se  Se7  1  0.166  0.389  0.869  1.0
  Se  Se8  1  0.672  0.355  0.687  1.0
  Se  Se9  1  0.334  0.889  0.869  1.0
  Se  Se10  1  0.328  0.645  0.313  1.0
  Se  Se11  1  0.172  0.145  0.313  1.0
  Se  Se12  1  0.834  0.611  0.131  1.0
  Se  Se13  1  0.666  0.111  0.131  1.0
  O  O14  1  0.726  0.022  0.295  1.0
  O  O15  1  0.855  0.420  0.577  1.0
  O  O16  1  0.145  0.580  0.423  1.0
  O  O17  1  0.517  0.306  0.588  1.0
  O  O18  1  0.226  0.478  0.705  1.0
  O  O19  1  0.774  0.522  0.295  1.0
  O  O20  1  0.645  0.920  0.577  1.0
  O  O21  1  0.890  0.813  0.147  1.0
  O  O22  1  0.115  0.940  0.311  1.0
  O  O23  1  0.274  0.978  0.705  1.0
  O  O24  1  0.138  0.825  0.957  1.0
  O  O25  1  0.362  0.325  0.957  1.0
  O  O26  1  0.885  0.060  0.689  1.0
  O  O27  1  0.110  0.187  0.853  1.0
  O  O28  1  0.390  0.687  0.853  1.0
  O  O29  1  0.355  0.080  0.423  1.0
  O  O30  1  0.610  0.313  0.147  1.0
  O  O31  1  0.483  0.694  0.412  1.0
  O  O32  1  0.017  0.194  0.412  1.0
  O  O33  1  0.983  0.806  0.588  1.0
  O  O34  1  0.615  0.560  0.689  1.0
  O  O35  1  0.638  0.675  0.043  1.0
  O  O36  1  0.862  0.175  0.043  1.0
  O  O37  1  0.385  0.440  0.311  1.0
[/CIF]
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The material described by CuBi2(SeO3)4 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(6) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Bi(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuBi2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.463
_cell_length_b   8.180
_cell_length_c   10.834
_cell_angle_alpha   69.390
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.068
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.885  0.748  0.399  1.0
  Bi  Bi3  1  0.385  0.752  0.601  1.0
  Bi  Bi4  1  0.115  0.252  0.601  1.0
  Bi  Bi5  1  0.615  0.248  0.399  1.0
  Se  Se6  1  0.828  0.855  0.687  1.0
  Se  Se7  1  0.166  0.389  0.869  1.0
  Se  Se8  1  0.672  0.355  0.687  1.0
  Se  Se9  1  0.334  0.889  0.869  1.0
  Se  Se10  1  0.328  0.645  0.313  1.0
  Se  Se11  1  0.172  0.145  0.313  1.0
  Se  Se12  1  0.834  0.611  0.131  1.0
  Se  Se13  1  0.666  0.111  0.131  1.0
  O  O14  1  0.726  0.022  0.295  1.0
  O  O15  1  0.855  0.420  0.577  1.0
  O  O16  1  0.145  0.580  0.423  1.0
  O  O17  1  0.517  0.306  0.588  1.0
  O  O18  1  0.226  0.478  0.705  1.0
  O  O19  1  0.774  0.522  0.295  1.0
  O  O20  1  0.645  0.920  0.577  1.0
  O  O21  1  0.890  0.813  0.147  1.0
  O  O22  1  0.115  0.940  0.311  1.0
  O  O23  1  0.274  0.978  0.705  1.0
  O  O24  1  0.138  0.825  0.957  1.0
  O  O25  1  0.362  0.325  0.957  1.0
  O  O26  1  0.885  0.060  0.689  1.0
  O  O27  1  0.110  0.187  0.853  1.0
  O  O28  1  0.390  0.687  0.853  1.0
  O  O29  1  0.355  0.080  0.423  1.0
  O  O30  1  0.610  0.313  0.147  1.0
  O  O31  1  0.483  0.694  0.412  1.0
  O  O32  1  0.017  0.194  0.412  1.0
  O  O33  1  0.983  0.806  0.588  1.0
  O  O34  1  0.615  0.560  0.689  1.0
  O  O35  1  0.638  0.675  0.043  1.0
  O  O36  1  0.862  0.175  0.043  1.0
  O  O37  1  0.385  0.440  0.311  1.0
[/CIF]
.