The compound described by Cr4OF11 crystallizes in the monoclinic C2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one F(1), one F(2), one F(5), and two equivalent F(4) atoms 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 35-40°. In the second Cr site, Cr(2) is bonded to one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms to form CrF6 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°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. There are six 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(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   5.328
_cell_length_c   8.744
_cell_angle_alpha   74.738
_cell_angle_beta   90.000
_cell_angle_gamma   61.413
_symmetry_Int_Tables_number   1
_cell_volume   199.014
_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  0.745  0.513  0.257  1.0
  Cr  Cr1  1  0.509  0.987  0.493  1.0
  Cr  Cr2  1  0.250  0.497  0.749  1.0
  Cr  Cr3  1  0.997  0.003  0.001  1.0
  O  O4  1  0.749  0.750  0.375  1.0
  F  F5  1  0.813  0.751  0.684  1.0
  F  F6  1  0.814  0.749  0.066  1.0
  F  F7  1  0.755  0.255  0.128  1.0
  F  F8  1  0.685  0.249  0.814  1.0
  F  F9  1  0.682  0.251  0.435  1.0
  F  F10  1  0.313  0.750  0.563  1.0
  F  F11  1  0.312  0.750  0.187  1.0
  F  F12  1  0.247  0.750  0.875  1.0
  F  F13  1  0.260  0.245  0.622  1.0
  F  F14  1  0.183  0.249  0.315  1.0
  F  F15  1  0.185  0.251  0.936  1.0
[/CIF]
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The compound described by Cr4OF11 crystallizes in the monoclinic C2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one F(1), one F(2), one F(5), and two equivalent F(4) atoms 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 35-40°. In the second Cr site, Cr(2) is bonded to one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms to form CrF6 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°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. There are six 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(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   5.328
_cell_length_c   8.744
_cell_angle_alpha   74.738
_cell_angle_beta   90.000
_cell_angle_gamma   61.413
_symmetry_Int_Tables_number   1
_cell_volume   199.014
_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  0.745  0.513  0.257  1.0
  Cr  Cr1  1  0.509  0.987  0.493  1.0
  Cr  Cr2  1  0.250  0.497  0.749  1.0
  Cr  Cr3  1  0.997  0.003  0.001  1.0
  O  O4  1  0.749  0.750  0.375  1.0
  F  F5  1  0.813  0.751  0.684  1.0
  F  F6  1  0.814  0.749  0.066  1.0
  F  F7  1  0.755  0.255  0.128  1.0
  F  F8  1  0.685  0.249  0.814  1.0
  F  F9  1  0.682  0.251  0.435  1.0
  F  F10  1  0.313  0.750  0.563  1.0
  F  F11  1  0.312  0.750  0.187  1.0
  F  F12  1  0.247  0.750  0.875  1.0
  F  F13  1  0.260  0.245  0.622  1.0
  F  F14  1  0.183  0.249  0.315  1.0
  F  F15  1  0.185  0.251  0.936  1.0
[/CIF]
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