The structure described by MgBiPO6 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra. Bi(1) is bonded in a distorted pentagonal planar geometry to one O(4) and four equivalent O(1) atoms. P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MgBiPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   6.563
_cell_length_c   7.849
_cell_angle_alpha   68.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.884
_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
  Mg  Mg0  1  0.250  0.853  0.916  1.0
  Mg  Mg1  1  0.750  0.147  0.084  1.0
  Bi  Bi2  1  0.750  0.803  0.542  1.0
  Bi  Bi3  1  0.250  0.197  0.458  1.0
  P  P4  1  0.250  0.373  0.824  1.0
  P  P5  1  0.750  0.627  0.176  1.0
  O  O6  1  0.980  0.030  0.322  1.0
  O  O7  1  0.519  0.779  0.110  1.0
  O  O8  1  0.250  0.557  0.898  1.0
  O  O9  1  0.750  0.443  0.102  1.0
  O  O10  1  0.520  0.030  0.322  1.0
  O  O11  1  0.250  0.474  0.611  1.0
  O  O12  1  0.020  0.970  0.678  1.0
  O  O13  1  0.480  0.970  0.678  1.0
  O  O14  1  0.019  0.221  0.890  1.0
  O  O15  1  0.750  0.526  0.389  1.0
  O  O16  1  0.981  0.779  0.110  1.0
  O  O17  1  0.481  0.221  0.890  1.0
[/CIF]
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The structure described by MgBiPO6 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra. Bi(1) is bonded in a distorted pentagonal planar geometry to one O(4) and four equivalent O(1) atoms. P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MgBiPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   6.563
_cell_length_c   7.849
_cell_angle_alpha   68.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.884
_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
  Mg  Mg0  1  0.250  0.853  0.916  1.0
  Mg  Mg1  1  0.750  0.147  0.084  1.0
  Bi  Bi2  1  0.750  0.803  0.542  1.0
  Bi  Bi3  1  0.250  0.197  0.458  1.0
  P  P4  1  0.250  0.373  0.824  1.0
  P  P5  1  0.750  0.627  0.176  1.0
  O  O6  1  0.980  0.030  0.322  1.0
  O  O7  1  0.519  0.779  0.110  1.0
  O  O8  1  0.250  0.557  0.898  1.0
  O  O9  1  0.750  0.443  0.102  1.0
  O  O10  1  0.520  0.030  0.322  1.0
  O  O11  1  0.250  0.474  0.611  1.0
  O  O12  1  0.020  0.970  0.678  1.0
  O  O13  1  0.480  0.970  0.678  1.0
  O  O14  1  0.019  0.221  0.890  1.0
  O  O15  1  0.750  0.526  0.389  1.0
  O  O16  1  0.981  0.779  0.110  1.0
  O  O17  1  0.481  0.221  0.890  1.0
[/CIF]
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