The material described by MgCrO3 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 square pyramids that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Mg(1)O5 square pyramids. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with six equivalent Mg(1)O5 square pyramids and corners with two equivalent Cr(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.245
_cell_length_c   3.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.014
_symmetry_Int_Tables_number   1
_cell_volume   75.773
_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  0.177  0.624  0.500  1.0
  Cr  Cr1  1  0.828  0.979  0.000  1.0
  O  O2  1  0.962  0.867  0.500  1.0
  O  O3  1  0.458  0.806  0.000  1.0
  O  O4  1  0.972  0.349  0.000  1.0
[/CIF]
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The material described by MgCrO3 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 square pyramids that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Mg(1)O5 square pyramids. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with six equivalent Mg(1)O5 square pyramids and corners with two equivalent Cr(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.245
_cell_length_c   3.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.014
_symmetry_Int_Tables_number   1
_cell_volume   75.773
_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  0.177  0.624  0.500  1.0
  Cr  Cr1  1  0.828  0.979  0.000  1.0
  O  O2  1  0.962  0.867  0.500  1.0
  O  O3  1  0.458  0.806  0.000  1.0
  O  O4  1  0.972  0.349  0.000  1.0
[/CIF]
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