The material structure described by MgBiAsO6 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(3), and four equivalent O(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Bi(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one As(1) atom. is represented by the CIF card [CIF]
data_MgBiAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   6.550
_cell_length_c   8.048
_cell_angle_alpha   73.551
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.829
_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  0.750  0.119  0.082  1.0
  Mg  Mg1  1  0.250  0.881  0.918  1.0
  Bi  Bi2  1  0.250  0.192  0.467  1.0
  Bi  Bi3  1  0.750  0.808  0.533  1.0
  As  As4  1  0.250  0.370  0.830  1.0
  As  As5  1  0.750  0.630  0.170  1.0
  O  O6  1  0.986  0.809  0.109  1.0
  O  O7  1  0.250  0.463  0.604  1.0
  O  O8  1  0.040  0.961  0.673  1.0
  O  O9  1  0.250  0.574  0.917  1.0
  O  O10  1  0.486  0.191  0.891  1.0
  O  O11  1  0.960  0.039  0.327  1.0
  O  O12  1  0.460  0.961  0.673  1.0
  O  O13  1  0.750  0.426  0.083  1.0
  O  O14  1  0.540  0.039  0.327  1.0
  O  O15  1  0.514  0.809  0.109  1.0
  O  O16  1  0.014  0.191  0.891  1.0
  O  O17  1  0.750  0.537  0.396  1.0
[/CIF]
.
The material structure described by MgBiAsO6 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(3), and four equivalent O(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Bi(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one As(1) atom. is represented by the CIF card [CIF]
data_MgBiAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   6.550
_cell_length_c   8.048
_cell_angle_alpha   73.551
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.829
_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  0.750  0.119  0.082  1.0
  Mg  Mg1  1  0.250  0.881  0.918  1.0
  Bi  Bi2  1  0.250  0.192  0.467  1.0
  Bi  Bi3  1  0.750  0.808  0.533  1.0
  As  As4  1  0.250  0.370  0.830  1.0
  As  As5  1  0.750  0.630  0.170  1.0
  O  O6  1  0.986  0.809  0.109  1.0
  O  O7  1  0.250  0.463  0.604  1.0
  O  O8  1  0.040  0.961  0.673  1.0
  O  O9  1  0.250  0.574  0.917  1.0
  O  O10  1  0.486  0.191  0.891  1.0
  O  O11  1  0.960  0.039  0.327  1.0
  O  O12  1  0.460  0.961  0.673  1.0
  O  O13  1  0.750  0.426  0.083  1.0
  O  O14  1  0.540  0.039  0.327  1.0
  O  O15  1  0.514  0.809  0.109  1.0
  O  O16  1  0.014  0.191  0.891  1.0
  O  O17  1  0.750  0.537  0.396  1.0
[/CIF]
.