The material described by CsBiNb2O7 crystallizes in the orthorhombic Pmc2_1 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Nb(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_CsNb2BiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.588
_cell_length_c   11.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.824
_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
  Cs  Cs0  1  0.257  0.248  0.500  1.0
  Cs  Cs1  1  0.743  0.748  0.500  1.0
  Nb  Nb2  1  0.246  0.753  0.795  1.0
  Nb  Nb3  1  0.754  0.253  0.205  1.0
  Nb  Nb4  1  0.754  0.253  0.795  1.0
  Nb  Nb5  1  0.246  0.753  0.205  1.0
  Bi  Bi6  1  0.275  0.187  0.000  1.0
  Bi  Bi7  1  0.725  0.687  0.000  1.0
  O  O8  1  0.445  0.074  0.816  1.0
  O  O9  1  0.967  0.987  0.843  1.0
  O  O10  1  0.778  0.250  0.359  1.0
  O  O11  1  0.967  0.987  0.157  1.0
  O  O12  1  0.033  0.487  0.157  1.0
  O  O13  1  0.675  0.293  0.000  1.0
  O  O14  1  0.222  0.750  0.641  1.0
  O  O15  1  0.555  0.574  0.816  1.0
  O  O16  1  0.325  0.793  0.000  1.0
  O  O17  1  0.555  0.574  0.184  1.0
  O  O18  1  0.778  0.250  0.641  1.0
  O  O19  1  0.222  0.750  0.359  1.0
  O  O20  1  0.445  0.074  0.184  1.0
  O  O21  1  0.033  0.487  0.843  1.0
[/CIF]
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The material described by CsBiNb2O7 crystallizes in the orthorhombic Pmc2_1 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Nb(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_CsNb2BiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.588
_cell_length_c   11.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.824
_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
  Cs  Cs0  1  0.257  0.248  0.500  1.0
  Cs  Cs1  1  0.743  0.748  0.500  1.0
  Nb  Nb2  1  0.246  0.753  0.795  1.0
  Nb  Nb3  1  0.754  0.253  0.205  1.0
  Nb  Nb4  1  0.754  0.253  0.795  1.0
  Nb  Nb5  1  0.246  0.753  0.205  1.0
  Bi  Bi6  1  0.275  0.187  0.000  1.0
  Bi  Bi7  1  0.725  0.687  0.000  1.0
  O  O8  1  0.445  0.074  0.816  1.0
  O  O9  1  0.967  0.987  0.843  1.0
  O  O10  1  0.778  0.250  0.359  1.0
  O  O11  1  0.967  0.987  0.157  1.0
  O  O12  1  0.033  0.487  0.157  1.0
  O  O13  1  0.675  0.293  0.000  1.0
  O  O14  1  0.222  0.750  0.641  1.0
  O  O15  1  0.555  0.574  0.816  1.0
  O  O16  1  0.325  0.793  0.000  1.0
  O  O17  1  0.555  0.574  0.184  1.0
  O  O18  1  0.778  0.250  0.641  1.0
  O  O19  1  0.222  0.750  0.359  1.0
  O  O20  1  0.445  0.074  0.184  1.0
  O  O21  1  0.033  0.487  0.843  1.0
[/CIF]
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