The crystal structure described by MgCo3BiO8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_MgCo3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.773
_cell_length_c   6.545
_cell_angle_alpha   63.372
_cell_angle_beta   116.505
_cell_angle_gamma   119.761
_symmetry_Int_Tables_number   1
_cell_volume   166.327
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.758  0.703  0.823  1.0
  O  O6  1  0.762  0.235  0.823  1.0
  O  O7  1  0.311  0.750  0.820  1.0
  O  O8  1  0.294  0.241  0.816  1.0
  O  O9  1  0.706  0.759  0.184  1.0
  O  O10  1  0.689  0.250  0.180  1.0
  O  O11  1  0.238  0.765  0.177  1.0
  O  O12  1  0.242  0.297  0.177  1.0
[/CIF]
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The crystal structure described by MgCo3BiO8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_MgCo3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.773
_cell_length_c   6.545
_cell_angle_alpha   63.372
_cell_angle_beta   116.505
_cell_angle_gamma   119.761
_symmetry_Int_Tables_number   1
_cell_volume   166.327
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.758  0.703  0.823  1.0
  O  O6  1  0.762  0.235  0.823  1.0
  O  O7  1  0.311  0.750  0.820  1.0
  O  O8  1  0.294  0.241  0.816  1.0
  O  O9  1  0.706  0.759  0.184  1.0
  O  O10  1  0.689  0.250  0.180  1.0
  O  O11  1  0.238  0.765  0.177  1.0
  O  O12  1  0.242  0.297  0.177  1.0
[/CIF]
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