The structure described by MgCrO4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Mg(1)O6 octahedra. Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_MgCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.986
_cell_length_b   4.986
_cell_length_c   6.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.248
_symmetry_Int_Tables_number   1
_cell_volume   144.766
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Cr  Cr2  1  0.359  0.641  0.750  1.0
  Cr  Cr3  1  0.641  0.359  0.250  1.0
  O  O4  1  0.726  0.779  0.750  1.0
  O  O5  1  0.274  0.221  0.250  1.0
  O  O6  1  0.779  0.726  0.250  1.0
  O  O7  1  0.221  0.274  0.750  1.0
  O  O8  1  0.246  0.754  0.958  1.0
  O  O9  1  0.754  0.246  0.458  1.0
  O  O10  1  0.754  0.246  0.042  1.0
  O  O11  1  0.246  0.754  0.542  1.0
[/CIF]
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The structure described by MgCrO4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Mg(1)O6 octahedra. Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_MgCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.986
_cell_length_b   4.986
_cell_length_c   6.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.248
_symmetry_Int_Tables_number   1
_cell_volume   144.766
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Cr  Cr2  1  0.359  0.641  0.750  1.0
  Cr  Cr3  1  0.641  0.359  0.250  1.0
  O  O4  1  0.726  0.779  0.750  1.0
  O  O5  1  0.274  0.221  0.250  1.0
  O  O6  1  0.779  0.726  0.250  1.0
  O  O7  1  0.221  0.274  0.750  1.0
  O  O8  1  0.246  0.754  0.958  1.0
  O  O9  1  0.754  0.246  0.458  1.0
  O  O10  1  0.754  0.246  0.042  1.0
  O  O11  1  0.246  0.754  0.542  1.0
[/CIF]
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