The structure described by MgCrCo3O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are two inequivalent Co sites. In the first Co site, Co(1) 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 Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   5.795
_cell_length_c   5.859
_cell_angle_alpha   60.269
_cell_angle_beta   60.313
_cell_angle_gamma   59.524
_symmetry_Int_Tables_number   1
_cell_volume   139.297
_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
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.245  0.244  0.302  1.0
  O  O6  1  0.255  0.256  0.714  1.0
  O  O7  1  0.249  0.710  0.257  1.0
  O  O8  1  0.709  0.249  0.256  1.0
  O  O9  1  0.291  0.751  0.744  1.0
  O  O10  1  0.751  0.290  0.743  1.0
  O  O11  1  0.745  0.744  0.286  1.0
  O  O12  1  0.755  0.756  0.698  1.0
[/CIF]
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The structure described by MgCrCo3O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are two inequivalent Co sites. In the first Co site, Co(1) 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 Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   5.795
_cell_length_c   5.859
_cell_angle_alpha   60.269
_cell_angle_beta   60.313
_cell_angle_gamma   59.524
_symmetry_Int_Tables_number   1
_cell_volume   139.297
_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
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.245  0.244  0.302  1.0
  O  O6  1  0.255  0.256  0.714  1.0
  O  O7  1  0.249  0.710  0.257  1.0
  O  O8  1  0.709  0.249  0.256  1.0
  O  O9  1  0.291  0.751  0.744  1.0
  O  O10  1  0.751  0.290  0.743  1.0
  O  O11  1  0.745  0.744  0.286  1.0
  O  O12  1  0.755  0.756  0.698  1.0
[/CIF]
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