The crystal structure described by MgCr3InO8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Cr(2), and one In(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one In(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF card [CIF]
data_MgCr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.206
_cell_length_b   5.206
_cell_length_c   6.261
_cell_angle_alpha   85.723
_cell_angle_beta   85.723
_cell_angle_gamma   67.465
_symmetry_Int_Tables_number   1
_cell_volume   156.103
_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  0.000  1.0
  Cr  Cr1  1  0.342  0.342  0.673  1.0
  Cr  Cr2  1  0.658  0.658  0.327  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.728  0.242  0.736  1.0
  O  O6  1  0.253  0.253  0.941  1.0
  O  O7  1  0.758  0.272  0.264  1.0
  O  O8  1  0.225  0.225  0.469  1.0
  O  O9  1  0.272  0.758  0.264  1.0
  O  O10  1  0.242  0.728  0.736  1.0
  O  O11  1  0.775  0.775  0.531  1.0
  O  O12  1  0.747  0.747  0.059  1.0
[/CIF]
.
The crystal structure described by MgCr3InO8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Cr(2), and one In(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one In(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF card [CIF]
data_MgCr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.206
_cell_length_b   5.206
_cell_length_c   6.261
_cell_angle_alpha   85.723
_cell_angle_beta   85.723
_cell_angle_gamma   67.465
_symmetry_Int_Tables_number   1
_cell_volume   156.103
_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  0.000  1.0
  Cr  Cr1  1  0.342  0.342  0.673  1.0
  Cr  Cr2  1  0.658  0.658  0.327  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.728  0.242  0.736  1.0
  O  O6  1  0.253  0.253  0.941  1.0
  O  O7  1  0.758  0.272  0.264  1.0
  O  O8  1  0.225  0.225  0.469  1.0
  O  O9  1  0.272  0.758  0.264  1.0
  O  O10  1  0.242  0.728  0.736  1.0
  O  O11  1  0.775  0.775  0.531  1.0
  O  O12  1  0.747  0.747  0.059  1.0
[/CIF]
.