The structure described by LuInO6 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LuO6 octahedra that share corners with two equivalent Lu(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-67°. In(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one O(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent In(1) and one O(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Lu(1), one In(1), and one O(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Lu(1), one In(1), and one O(4) atom. is represented by the CIF file [CIF]
data_LuInO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.351
_cell_length_b   6.351
_cell_length_c   7.386
_cell_angle_alpha   55.666
_cell_angle_beta   55.666
_cell_angle_gamma   71.414
_symmetry_Int_Tables_number   1
_cell_volume   203.174
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.500  0.000  0.500  1.0
  Lu  Lu1  1  0.000  0.500  0.500  1.0
  In  In2  1  0.000  0.500  0.000  1.0
  In  In3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.690  0.690  0.405  1.0
  O  O5  1  0.310  0.310  0.595  1.0
  O  O6  1  0.669  0.669  0.228  1.0
  O  O7  1  0.331  0.331  0.772  1.0
  O  O8  1  0.097  0.897  0.684  1.0
  O  O9  1  0.903  0.103  0.316  1.0
  O  O10  1  0.897  0.097  0.684  1.0
  O  O11  1  0.103  0.903  0.316  1.0
  O  O12  1  0.780  0.418  0.897  1.0
  O  O13  1  0.220  0.582  0.103  1.0
  O  O14  1  0.582  0.220  0.103  1.0
  O  O15  1  0.418  0.780  0.897  1.0
[/CIF]
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The structure described by LuInO6 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LuO6 octahedra that share corners with two equivalent Lu(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-67°. In(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one O(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent In(1) and one O(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Lu(1), one In(1), and one O(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Lu(1), one In(1), and one O(4) atom. is represented by the CIF file [CIF]
data_LuInO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.351
_cell_length_b   6.351
_cell_length_c   7.386
_cell_angle_alpha   55.666
_cell_angle_beta   55.666
_cell_angle_gamma   71.414
_symmetry_Int_Tables_number   1
_cell_volume   203.174
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.500  0.000  0.500  1.0
  Lu  Lu1  1  0.000  0.500  0.500  1.0
  In  In2  1  0.000  0.500  0.000  1.0
  In  In3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.690  0.690  0.405  1.0
  O  O5  1  0.310  0.310  0.595  1.0
  O  O6  1  0.669  0.669  0.228  1.0
  O  O7  1  0.331  0.331  0.772  1.0
  O  O8  1  0.097  0.897  0.684  1.0
  O  O9  1  0.903  0.103  0.316  1.0
  O  O10  1  0.897  0.097  0.684  1.0
  O  O11  1  0.103  0.903  0.316  1.0
  O  O12  1  0.780  0.418  0.897  1.0
  O  O13  1  0.220  0.582  0.103  1.0
  O  O14  1  0.582  0.220  0.103  1.0
  O  O15  1  0.418  0.780  0.897  1.0
[/CIF]
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