The material structure described by MgCo3BiO8 is beta indium sulfide-derived structured and crystallizes in the trigonal R3 space group. Mg(1) is bonded to one O(2) and three equivalent O(3) atoms to form MgO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Bi(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Co(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Mg(1) and three equivalent Co(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Co(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgCo3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.017
_cell_length_c   6.254
_cell_angle_alpha   61.229
_cell_angle_beta   118.764
_cell_angle_gamma   119.985
_symmetry_Int_Tables_number   1
_cell_volume   162.997
_cell_formula_units_Z   1
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  0.132  0.869  0.395  1.0
  Co  Co1  1  0.505  0.500  0.998  1.0
  Co  Co2  1  0.501  0.007  0.999  1.0
  Co  Co3  1  0.994  0.496  0.998  1.0
  Bi  Bi4  1  0.504  0.497  0.509  1.0
  O  O5  1  0.751  0.718  0.779  1.0
  O  O6  1  0.747  0.250  0.779  1.0
  O  O7  1  0.267  0.734  0.798  1.0
  O  O8  1  0.283  0.254  0.779  1.0
  O  O9  1  0.727  0.745  0.239  1.0
  O  O10  1  0.730  0.271  0.187  1.0
  O  O11  1  0.256  0.743  0.239  1.0
  O  O12  1  0.258  0.274  0.239  1.0
[/CIF]
.
The material structure described by MgCo3BiO8 is beta indium sulfide-derived structured and crystallizes in the trigonal R3 space group. Mg(1) is bonded to one O(2) and three equivalent O(3) atoms to form MgO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Bi(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Co(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Mg(1) and three equivalent Co(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Co(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgCo3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.017
_cell_length_c   6.254
_cell_angle_alpha   61.229
_cell_angle_beta   118.764
_cell_angle_gamma   119.985
_symmetry_Int_Tables_number   1
_cell_volume   162.997
_cell_formula_units_Z   1
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  0.132  0.869  0.395  1.0
  Co  Co1  1  0.505  0.500  0.998  1.0
  Co  Co2  1  0.501  0.007  0.999  1.0
  Co  Co3  1  0.994  0.496  0.998  1.0
  Bi  Bi4  1  0.504  0.497  0.509  1.0
  O  O5  1  0.751  0.718  0.779  1.0
  O  O6  1  0.747  0.250  0.779  1.0
  O  O7  1  0.267  0.734  0.798  1.0
  O  O8  1  0.283  0.254  0.779  1.0
  O  O9  1  0.727  0.745  0.239  1.0
  O  O10  1  0.730  0.271  0.187  1.0
  O  O11  1  0.256  0.743  0.239  1.0
  O  O12  1  0.258  0.274  0.239  1.0
[/CIF]
.