The crystal structure described by Ca2BiAsO6 crystallizes in the orthorhombic Cmc2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OCa2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ca(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Ca2BiAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.561
_cell_length_b   7.561
_cell_length_c   5.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.704
_symmetry_Int_Tables_number   1
_cell_volume   307.025
_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  0.306  0.092  0.762  1.0
  Ca  Ca1  1  0.908  0.694  0.762  1.0
  Ca  Ca2  1  0.092  0.306  0.262  1.0
  Ca  Ca3  1  0.694  0.908  0.262  1.0
  Bi  Bi4  1  0.589  0.411  0.252  1.0
  Bi  Bi5  1  0.411  0.589  0.752  1.0
  As  As6  1  0.818  0.182  0.805  1.0
  As  As7  1  0.182  0.818  0.305  1.0
  O  O8  1  0.350  0.344  0.512  1.0
  O  O9  1  0.598  0.089  0.918  1.0
  O  O10  1  0.089  0.598  0.418  1.0
  O  O11  1  0.656  0.650  0.512  1.0
  O  O12  1  0.182  0.818  0.997  1.0
  O  O13  1  0.650  0.656  0.012  1.0
  O  O14  1  0.818  0.182  0.497  1.0
  O  O15  1  0.344  0.350  0.012  1.0
  O  O16  1  0.053  0.947  0.437  1.0
  O  O17  1  0.402  0.911  0.418  1.0
  O  O18  1  0.947  0.053  0.937  1.0
  O  O19  1  0.911  0.402  0.918  1.0
[/CIF]
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The crystal structure described by Ca2BiAsO6 crystallizes in the orthorhombic Cmc2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OCa2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ca(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Ca2BiAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.561
_cell_length_b   7.561
_cell_length_c   5.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.704
_symmetry_Int_Tables_number   1
_cell_volume   307.025
_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  0.306  0.092  0.762  1.0
  Ca  Ca1  1  0.908  0.694  0.762  1.0
  Ca  Ca2  1  0.092  0.306  0.262  1.0
  Ca  Ca3  1  0.694  0.908  0.262  1.0
  Bi  Bi4  1  0.589  0.411  0.252  1.0
  Bi  Bi5  1  0.411  0.589  0.752  1.0
  As  As6  1  0.818  0.182  0.805  1.0
  As  As7  1  0.182  0.818  0.305  1.0
  O  O8  1  0.350  0.344  0.512  1.0
  O  O9  1  0.598  0.089  0.918  1.0
  O  O10  1  0.089  0.598  0.418  1.0
  O  O11  1  0.656  0.650  0.512  1.0
  O  O12  1  0.182  0.818  0.997  1.0
  O  O13  1  0.650  0.656  0.012  1.0
  O  O14  1  0.818  0.182  0.497  1.0
  O  O15  1  0.344  0.350  0.012  1.0
  O  O16  1  0.053  0.947  0.437  1.0
  O  O17  1  0.402  0.911  0.418  1.0
  O  O18  1  0.947  0.053  0.937  1.0
  O  O19  1  0.911  0.402  0.918  1.0
[/CIF]
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