The compound described by MgCr2(CoO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CrO4 trigonal pyramids that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Cr(1)O4 trigonal pyramids 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 corners with six equivalent Cr(1)O4 trigonal pyramids and edges with two equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one Co(1) atom. 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 CIF card [CIF]
data_MgCr2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.228
_cell_length_b   5.226
_cell_length_c   6.235
_cell_angle_alpha   93.584
_cell_angle_beta   86.309
_cell_angle_gamma   115.178
_symmetry_Int_Tables_number   1
_cell_volume   153.735
_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  0.500  0.500  1.000  1.0
  Cr  Cr1  1  0.329  0.671  0.701  1.0
  Cr  Cr2  1  0.671  0.329  0.299  1.0
  Co  Co3  1  1.000  0.000  0.000  1.0
  Co  Co4  1  1.000  1.000  0.500  1.0
  O  O5  1  0.239  0.761  0.479  1.0
  O  O6  1  0.770  0.229  0.059  1.0
  O  O7  1  0.768  0.705  0.249  1.0
  O  O8  1  0.294  0.232  0.249  1.0
  O  O9  1  0.232  0.295  0.751  1.0
  O  O10  1  0.706  0.768  0.751  1.0
  O  O11  1  0.230  0.771  0.941  1.0
  O  O12  1  0.761  0.239  0.521  1.0
[/CIF]
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The compound described by MgCr2(CoO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CrO4 trigonal pyramids that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Cr(1)O4 trigonal pyramids 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 corners with six equivalent Cr(1)O4 trigonal pyramids and edges with two equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one Co(1) atom. 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 CIF card [CIF]
data_MgCr2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.228
_cell_length_b   5.226
_cell_length_c   6.235
_cell_angle_alpha   93.584
_cell_angle_beta   86.309
_cell_angle_gamma   115.178
_symmetry_Int_Tables_number   1
_cell_volume   153.735
_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  0.500  0.500  1.000  1.0
  Cr  Cr1  1  0.329  0.671  0.701  1.0
  Cr  Cr2  1  0.671  0.329  0.299  1.0
  Co  Co3  1  1.000  0.000  0.000  1.0
  Co  Co4  1  1.000  1.000  0.500  1.0
  O  O5  1  0.239  0.761  0.479  1.0
  O  O6  1  0.770  0.229  0.059  1.0
  O  O7  1  0.768  0.705  0.249  1.0
  O  O8  1  0.294  0.232  0.249  1.0
  O  O9  1  0.232  0.295  0.751  1.0
  O  O10  1  0.706  0.768  0.751  1.0
  O  O11  1  0.230  0.771  0.941  1.0
  O  O12  1  0.761  0.239  0.521  1.0
[/CIF]
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