The structure described by Cr3InO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, 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 three equivalent Cr(2)O6 octahedra and corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. 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 six equivalent Cr(1)O4 tetrahedra and edges with two equivalent In(1)O6 octahedra. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cr(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one In(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one In(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   5.145
_cell_length_c   6.534
_cell_angle_alpha   89.483
_cell_angle_beta   89.483
_cell_angle_gamma   66.628
_symmetry_Int_Tables_number   1
_cell_volume   158.794
_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
  Cr  Cr0  1  0.357  0.357  0.735  1.0
  Cr  Cr1  1  0.643  0.643  0.265  1.0
  Cr  Cr2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.211  0.734  0.732  1.0
  O  O5  1  0.248  0.248  0.951  1.0
  O  O6  1  0.266  0.789  0.268  1.0
  O  O7  1  0.227  0.227  0.545  1.0
  O  O8  1  0.789  0.266  0.268  1.0
  O  O9  1  0.734  0.211  0.732  1.0
  O  O10  1  0.773  0.773  0.455  1.0
  O  O11  1  0.752  0.752  0.049  1.0
[/CIF]
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The structure described by Cr3InO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, 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 three equivalent Cr(2)O6 octahedra and corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. 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 six equivalent Cr(1)O4 tetrahedra and edges with two equivalent In(1)O6 octahedra. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cr(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one In(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one In(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3InO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   5.145
_cell_length_c   6.534
_cell_angle_alpha   89.483
_cell_angle_beta   89.483
_cell_angle_gamma   66.628
_symmetry_Int_Tables_number   1
_cell_volume   158.794
_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
  Cr  Cr0  1  0.357  0.357  0.735  1.0
  Cr  Cr1  1  0.643  0.643  0.265  1.0
  Cr  Cr2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.211  0.734  0.732  1.0
  O  O5  1  0.248  0.248  0.951  1.0
  O  O6  1  0.266  0.789  0.268  1.0
  O  O7  1  0.227  0.227  0.545  1.0
  O  O8  1  0.789  0.266  0.268  1.0
  O  O9  1  0.734  0.211  0.732  1.0
  O  O10  1  0.773  0.773  0.455  1.0
  O  O11  1  0.752  0.752  0.049  1.0
[/CIF]
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