The material structure described by Cr4OF11 crystallizes in the triclinic P-1 space group. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one F(1), one F(10), one F(2), one F(4), and one F(7) atom to form CrOF5 octahedra that share corners with three equivalent Cr(5)F6 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. In the second Cr site, Cr(2) is bonded to one F(11), one F(3), one F(5), one F(6), one F(8), and one F(9) atom to form CrF6 octahedra that share corners with three equivalent Cr(4)F6 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the third Cr site, Cr(3) is bonded to one O(1), one F(11), one F(2), one F(5), one F(7), and one F(8) atom to form CrOF5 octahedra that share corners with three equivalent Cr(2)F6 octahedra and corners with three equivalent Cr(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. In the fourth Cr site, Cr(4) is bonded to two equivalent F(3), two equivalent F(6), and two equivalent F(9) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. In the fifth Cr site, Cr(5) is bonded to two equivalent F(1), two equivalent F(10), and two equivalent F(4) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 35°. O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. is represented by the CIF file [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   5.333
_cell_length_c   16.907
_cell_angle_alpha   91.035
_cell_angle_beta   97.956
_cell_angle_gamma   62.068
_symmetry_Int_Tables_number   1
_cell_volume   398.930
_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
  Cr  Cr0  1  0.745  0.616  0.129  1.0
  Cr  Cr1  1  0.749  0.122  0.626  1.0
  Cr  Cr2  1  0.492  0.739  0.753  1.0
  Cr  Cr3  1  0.508  0.261  0.247  1.0
  Cr  Cr4  1  0.251  0.878  0.374  1.0
  Cr  Cr5  1  0.255  0.384  0.871  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.687  0.468  0.218  1.0
  O  O9  1  0.313  0.532  0.782  1.0
  F  F10  1  0.816  0.781  0.035  1.0
  F  F11  1  0.744  0.937  0.187  1.0
  F  F12  1  0.755  0.811  0.563  1.0
  F  F13  1  0.752  0.313  0.062  1.0
  F  F14  1  0.682  0.962  0.719  1.0
  F  F15  1  0.686  0.659  0.407  1.0
  F  F16  1  0.816  0.592  0.843  1.0
  F  F17  1  0.814  0.091  0.341  1.0
  F  F18  1  0.813  0.280  0.532  1.0
  F  F19  1  0.315  0.843  0.093  1.0
  F  F20  1  0.743  0.438  0.688  1.0
  F  F21  1  0.257  0.562  0.312  1.0
  F  F22  1  0.685  0.157  0.907  1.0
  F  F23  1  0.186  0.909  0.659  1.0
  F  F24  1  0.184  0.408  0.157  1.0
  F  F25  1  0.187  0.720  0.468  1.0
  F  F26  1  0.314  0.341  0.593  1.0
  F  F27  1  0.318  0.038  0.281  1.0
  F  F28  1  0.248  0.687  0.938  1.0
  F  F29  1  0.245  0.189  0.437  1.0
  F  F30  1  0.256  0.063  0.813  1.0
  F  F31  1  0.184  0.219  0.965  1.0
[/CIF]
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The material structure described by Cr4OF11 crystallizes in the triclinic P-1 space group. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one F(1), one F(10), one F(2), one F(4), and one F(7) atom to form CrOF5 octahedra that share corners with three equivalent Cr(5)F6 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. In the second Cr site, Cr(2) is bonded to one F(11), one F(3), one F(5), one F(6), one F(8), and one F(9) atom to form CrF6 octahedra that share corners with three equivalent Cr(4)F6 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the third Cr site, Cr(3) is bonded to one O(1), one F(11), one F(2), one F(5), one F(7), and one F(8) atom to form CrOF5 octahedra that share corners with three equivalent Cr(2)F6 octahedra and corners with three equivalent Cr(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. In the fourth Cr site, Cr(4) is bonded to two equivalent F(3), two equivalent F(6), and two equivalent F(9) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. In the fifth Cr site, Cr(5) is bonded to two equivalent F(1), two equivalent F(10), and two equivalent F(4) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 35°. O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. is represented by the CIF file [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   5.333
_cell_length_c   16.907
_cell_angle_alpha   91.035
_cell_angle_beta   97.956
_cell_angle_gamma   62.068
_symmetry_Int_Tables_number   1
_cell_volume   398.930
_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
  Cr  Cr0  1  0.745  0.616  0.129  1.0
  Cr  Cr1  1  0.749  0.122  0.626  1.0
  Cr  Cr2  1  0.492  0.739  0.753  1.0
  Cr  Cr3  1  0.508  0.261  0.247  1.0
  Cr  Cr4  1  0.251  0.878  0.374  1.0
  Cr  Cr5  1  0.255  0.384  0.871  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.687  0.468  0.218  1.0
  O  O9  1  0.313  0.532  0.782  1.0
  F  F10  1  0.816  0.781  0.035  1.0
  F  F11  1  0.744  0.937  0.187  1.0
  F  F12  1  0.755  0.811  0.563  1.0
  F  F13  1  0.752  0.313  0.062  1.0
  F  F14  1  0.682  0.962  0.719  1.0
  F  F15  1  0.686  0.659  0.407  1.0
  F  F16  1  0.816  0.592  0.843  1.0
  F  F17  1  0.814  0.091  0.341  1.0
  F  F18  1  0.813  0.280  0.532  1.0
  F  F19  1  0.315  0.843  0.093  1.0
  F  F20  1  0.743  0.438  0.688  1.0
  F  F21  1  0.257  0.562  0.312  1.0
  F  F22  1  0.685  0.157  0.907  1.0
  F  F23  1  0.186  0.909  0.659  1.0
  F  F24  1  0.184  0.408  0.157  1.0
  F  F25  1  0.187  0.720  0.468  1.0
  F  F26  1  0.314  0.341  0.593  1.0
  F  F27  1  0.318  0.038  0.281  1.0
  F  F28  1  0.248  0.687  0.938  1.0
  F  F29  1  0.245  0.189  0.437  1.0
  F  F30  1  0.256  0.063  0.813  1.0
  F  F31  1  0.184  0.219  0.965  1.0
[/CIF]
.