The crystal structure described by MgCr3InO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted MgO4 tetrahedra that share corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent In(1)O6 octahedra, corners with two equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-69°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CrO4 tetrahedra that share corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent In(1)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the second Cr site, Cr(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form CrO4 tetrahedra that share corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent In(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the third Cr site, Cr(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form InO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Cr(3)O6 octahedra. There are eight 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 trigonal planar geometry to one Mg(1), one Cr(1), and one In(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Cr(2), one Cr(3), and one In(1) atom to form distorted edge-sharing OMgCr2In tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Cr(2), one Cr(3), and one In(1) atom to form distorted edge-sharing OMgCr2In tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one In(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one Cr(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cr(2) and one In(1) atom. is represented by the CIF card [CIF]
data_MgCr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.273
_cell_length_c   6.424
_cell_angle_alpha   89.428
_cell_angle_beta   89.345
_cell_angle_gamma   65.604
_symmetry_Int_Tables_number   1
_cell_volume   162.862
_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  0.334  0.341  0.251  1.0
  Cr  Cr1  1  0.354  0.356  0.737  1.0
  Cr  Cr2  1  0.656  0.659  0.270  1.0
  Cr  Cr3  1  0.995  0.998  0.500  1.0
  In  In4  1  0.998  0.000  0.993  1.0
  O  O5  1  0.731  0.216  0.730  1.0
  O  O6  1  0.243  0.242  0.976  1.0
  O  O7  1  0.752  0.266  0.265  1.0
  O  O8  1  0.226  0.224  0.519  1.0
  O  O9  1  0.263  0.756  0.264  1.0
  O  O10  1  0.216  0.732  0.729  1.0
  O  O11  1  0.781  0.774  0.476  1.0
  O  O12  1  0.763  0.760  0.041  1.0
[/CIF]
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The crystal structure described by MgCr3InO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted MgO4 tetrahedra that share corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent In(1)O6 octahedra, corners with two equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-69°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CrO4 tetrahedra that share corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent In(1)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the second Cr site, Cr(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form CrO4 tetrahedra that share corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent In(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the third Cr site, Cr(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form InO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Cr(3)O6 octahedra. There are eight 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 trigonal planar geometry to one Mg(1), one Cr(1), and one In(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Cr(2), one Cr(3), and one In(1) atom to form distorted edge-sharing OMgCr2In tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Cr(2), one Cr(3), and one In(1) atom to form distorted edge-sharing OMgCr2In tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one In(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one Cr(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cr(2) and one In(1) atom. is represented by the CIF card [CIF]
data_MgCr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.273
_cell_length_c   6.424
_cell_angle_alpha   89.428
_cell_angle_beta   89.345
_cell_angle_gamma   65.604
_symmetry_Int_Tables_number   1
_cell_volume   162.862
_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  0.334  0.341  0.251  1.0
  Cr  Cr1  1  0.354  0.356  0.737  1.0
  Cr  Cr2  1  0.656  0.659  0.270  1.0
  Cr  Cr3  1  0.995  0.998  0.500  1.0
  In  In4  1  0.998  0.000  0.993  1.0
  O  O5  1  0.731  0.216  0.730  1.0
  O  O6  1  0.243  0.242  0.976  1.0
  O  O7  1  0.752  0.266  0.265  1.0
  O  O8  1  0.226  0.224  0.519  1.0
  O  O9  1  0.263  0.756  0.264  1.0
  O  O10  1  0.216  0.732  0.729  1.0
  O  O11  1  0.781  0.774  0.476  1.0
  O  O12  1  0.763  0.760  0.041  1.0
[/CIF]
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