The crystal structure described by InOF crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second In site, In(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 59-62°. In the third In site, In(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 octahedra. In the fourth In site, In(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 65-67°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the second O site, O(2) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the third O site, O(3) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the fourth O site, O(4) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one In(1) and one In(3) atom. In the second F site, F(2) is bonded in a linear geometry to one In(2) and one In(4) atom. In the third F site, F(3) is bonded in a linear geometry to one In(1) and one In(3) atom. In the fourth F site, F(4) is bonded in a linear geometry to one In(2) and one In(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_InOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   6.302
_cell_length_c   5.566
_cell_angle_alpha   68.507
_cell_angle_beta   60.950
_cell_angle_gamma   50.542
_symmetry_Int_Tables_number   1
_cell_volume   158.253
_cell_formula_units_Z   4
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
  In  In0  1  0.447  0.045  0.459  1.0
  In  In1  1  0.056  0.441  0.048  1.0
  In  In2  1  0.793  0.208  0.806  1.0
  In  In3  1  0.205  0.804  0.198  1.0
  O  O4  1  0.389  0.383  0.122  1.0
  O  O5  1  0.141  0.141  0.860  1.0
  O  O6  1  0.868  0.853  0.138  1.0
  O  O7  1  0.121  0.115  0.380  1.0
  F  F8  1  0.632  0.117  0.620  1.0
  F  F9  1  0.131  0.626  0.626  1.0
  F  F10  1  0.628  0.628  0.615  1.0
  F  F11  1  0.634  0.624  0.121  1.0
[/CIF]
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The crystal structure described by InOF crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second In site, In(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 59-62°. In the third In site, In(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 octahedra. In the fourth In site, In(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 65-67°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the second O site, O(2) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the third O site, O(3) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the fourth O site, O(4) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one In(1) and one In(3) atom. In the second F site, F(2) is bonded in a linear geometry to one In(2) and one In(4) atom. In the third F site, F(3) is bonded in a linear geometry to one In(1) and one In(3) atom. In the fourth F site, F(4) is bonded in a linear geometry to one In(2) and one In(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_InOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   6.302
_cell_length_c   5.566
_cell_angle_alpha   68.507
_cell_angle_beta   60.950
_cell_angle_gamma   50.542
_symmetry_Int_Tables_number   1
_cell_volume   158.253
_cell_formula_units_Z   4
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
  In  In0  1  0.447  0.045  0.459  1.0
  In  In1  1  0.056  0.441  0.048  1.0
  In  In2  1  0.793  0.208  0.806  1.0
  In  In3  1  0.205  0.804  0.198  1.0
  O  O4  1  0.389  0.383  0.122  1.0
  O  O5  1  0.141  0.141  0.860  1.0
  O  O6  1  0.868  0.853  0.138  1.0
  O  O7  1  0.121  0.115  0.380  1.0
  F  F8  1  0.632  0.117  0.620  1.0
  F  F9  1  0.131  0.626  0.626  1.0
  F  F10  1  0.628  0.628  0.615  1.0
  F  F11  1  0.634  0.624  0.121  1.0
[/CIF]
.