The compound described by MgCr3InO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one O(6), and two equivalent O(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second Cr site, Cr(2) is bonded to one O(5), one O(6), and two equivalent O(3) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-50°. In the third Cr site, Cr(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. In(1) is bonded in a 4-coordinate geometry to one Mg(1), one O(2), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one In(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one In(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(2), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Mg(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_MgCr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.217
_cell_length_c   8.402
_cell_angle_alpha   98.566
_cell_angle_beta   98.566
_cell_angle_gamma   63.930
_symmetry_Int_Tables_number   1
_cell_volume   202.212
_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  0.894  0.894  0.166  1.0
  Cr  Cr1  1  0.379  0.379  0.709  1.0
  Cr  Cr2  1  0.605  0.605  0.318  1.0
  Cr  Cr3  1  0.994  0.994  0.518  1.0
  In  In4  1  0.074  0.074  0.922  1.0
  O  O5  1  0.752  0.235  0.698  1.0
  O  O6  1  0.314  0.314  0.891  1.0
  O  O7  1  0.752  0.233  0.331  1.0
  O  O8  1  0.219  0.219  0.566  1.0
  O  O9  1  0.233  0.752  0.331  1.0
  O  O10  1  0.235  0.752  0.698  1.0
  O  O11  1  0.767  0.767  0.457  1.0
  O  O12  1  0.669  0.669  0.136  1.0
[/CIF]
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The compound described by MgCr3InO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one O(6), and two equivalent O(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second Cr site, Cr(2) is bonded to one O(5), one O(6), and two equivalent O(3) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-50°. In the third Cr site, Cr(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. In(1) is bonded in a 4-coordinate geometry to one Mg(1), one O(2), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one In(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one In(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(2), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Mg(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_MgCr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.217
_cell_length_c   8.402
_cell_angle_alpha   98.566
_cell_angle_beta   98.566
_cell_angle_gamma   63.930
_symmetry_Int_Tables_number   1
_cell_volume   202.212
_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  0.894  0.894  0.166  1.0
  Cr  Cr1  1  0.379  0.379  0.709  1.0
  Cr  Cr2  1  0.605  0.605  0.318  1.0
  Cr  Cr3  1  0.994  0.994  0.518  1.0
  In  In4  1  0.074  0.074  0.922  1.0
  O  O5  1  0.752  0.235  0.698  1.0
  O  O6  1  0.314  0.314  0.891  1.0
  O  O7  1  0.752  0.233  0.331  1.0
  O  O8  1  0.219  0.219  0.566  1.0
  O  O9  1  0.233  0.752  0.331  1.0
  O  O10  1  0.235  0.752  0.698  1.0
  O  O11  1  0.767  0.767  0.457  1.0
  O  O12  1  0.669  0.669  0.136  1.0
[/CIF]
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