The crystal structure described by CaPr(BiO3)2 crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Bi(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OCaPrBi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OCaPrBi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPr(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.898
_cell_length_b   6.189
_cell_length_c   8.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.865
_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
  Ca  Ca0  1  0.487  0.201  0.000  1.0
  Ca  Ca1  1  0.987  0.799  0.500  1.0
  Pr  Pr2  1  0.025  0.685  0.000  1.0
  Pr  Pr3  1  0.525  0.315  0.500  1.0
  Bi  Bi4  1  0.002  0.245  0.751  1.0
  Bi  Bi5  1  0.002  0.245  0.249  1.0
  Bi  Bi6  1  0.502  0.755  0.251  1.0
  Bi  Bi7  1  0.502  0.755  0.749  1.0
  O  O8  1  0.145  0.181  0.500  1.0
  O  O9  1  0.184  0.937  0.823  1.0
  O  O10  1  0.184  0.937  0.177  1.0
  O  O11  1  0.305  0.448  0.173  1.0
  O  O12  1  0.305  0.448  0.827  1.0
  O  O13  1  0.361  0.681  0.500  1.0
  O  O14  1  0.645  0.819  0.000  1.0
  O  O15  1  0.684  0.063  0.677  1.0
  O  O16  1  0.684  0.063  0.323  1.0
  O  O17  1  0.805  0.552  0.673  1.0
  O  O18  1  0.805  0.552  0.327  1.0
  O  O19  1  0.861  0.319  0.000  1.0
[/CIF]
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The crystal structure described by CaPr(BiO3)2 crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Bi(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OCaPrBi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Pr(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OCaPrBi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPr(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.898
_cell_length_b   6.189
_cell_length_c   8.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.865
_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
  Ca  Ca0  1  0.487  0.201  0.000  1.0
  Ca  Ca1  1  0.987  0.799  0.500  1.0
  Pr  Pr2  1  0.025  0.685  0.000  1.0
  Pr  Pr3  1  0.525  0.315  0.500  1.0
  Bi  Bi4  1  0.002  0.245  0.751  1.0
  Bi  Bi5  1  0.002  0.245  0.249  1.0
  Bi  Bi6  1  0.502  0.755  0.251  1.0
  Bi  Bi7  1  0.502  0.755  0.749  1.0
  O  O8  1  0.145  0.181  0.500  1.0
  O  O9  1  0.184  0.937  0.823  1.0
  O  O10  1  0.184  0.937  0.177  1.0
  O  O11  1  0.305  0.448  0.173  1.0
  O  O12  1  0.305  0.448  0.827  1.0
  O  O13  1  0.361  0.681  0.500  1.0
  O  O14  1  0.645  0.819  0.000  1.0
  O  O15  1  0.684  0.063  0.677  1.0
  O  O16  1  0.684  0.063  0.323  1.0
  O  O17  1  0.805  0.552  0.673  1.0
  O  O18  1  0.805  0.552  0.327  1.0
  O  O19  1  0.861  0.319  0.000  1.0
[/CIF]
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