The structure described by Cr4OF11 crystallizes in the monoclinic P2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form CrF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra and corners with four equivalent Cr(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. In the second Cr site, Cr(2) is bonded to one O(1), one F(2), one F(4), one F(5), one F(6), and one F(7) atom to form CrOF5 octahedra that share corners with two equivalent Cr(2)OF5 octahedra and corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. 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 one Cr(1) and one Cr(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   7.300
_cell_length_c   5.372
_cell_angle_alpha   94.222
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.538
_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  0.999  0.500  1.000  1.0
  Cr  Cr1  1  0.999  0.000  0.000  1.0
  Cr  Cr2  1  0.502  0.510  0.500  1.0
  Cr  Cr3  1  0.502  0.990  0.500  1.0
  O  O4  1  0.620  0.750  0.500  1.0
  F  F5  1  0.871  0.750  0.000  1.0
  F  F6  1  0.392  0.250  0.500  1.0
  F  F7  1  0.124  0.250  0.000  1.0
  F  F8  1  0.808  0.059  0.309  1.0
  F  F9  1  0.808  0.441  0.691  1.0
  F  F10  1  0.690  0.440  0.191  1.0
  F  F11  1  0.690  0.060  0.809  1.0
  F  F12  1  0.308  0.939  0.191  1.0
  F  F13  1  0.308  0.561  0.809  1.0
  F  F14  1  0.189  0.560  0.309  1.0
  F  F15  1  0.189  0.940  0.691  1.0
[/CIF]
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The structure described by Cr4OF11 crystallizes in the monoclinic P2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form CrF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra and corners with four equivalent Cr(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. In the second Cr site, Cr(2) is bonded to one O(1), one F(2), one F(4), one F(5), one F(6), and one F(7) atom to form CrOF5 octahedra that share corners with two equivalent Cr(2)OF5 octahedra and corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. 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 one Cr(1) and one Cr(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   7.300
_cell_length_c   5.372
_cell_angle_alpha   94.222
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.538
_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  0.999  0.500  1.000  1.0
  Cr  Cr1  1  0.999  0.000  0.000  1.0
  Cr  Cr2  1  0.502  0.510  0.500  1.0
  Cr  Cr3  1  0.502  0.990  0.500  1.0
  O  O4  1  0.620  0.750  0.500  1.0
  F  F5  1  0.871  0.750  0.000  1.0
  F  F6  1  0.392  0.250  0.500  1.0
  F  F7  1  0.124  0.250  0.000  1.0
  F  F8  1  0.808  0.059  0.309  1.0
  F  F9  1  0.808  0.441  0.691  1.0
  F  F10  1  0.690  0.440  0.191  1.0
  F  F11  1  0.690  0.060  0.809  1.0
  F  F12  1  0.308  0.939  0.191  1.0
  F  F13  1  0.308  0.561  0.809  1.0
  F  F14  1  0.189  0.560  0.309  1.0
  F  F15  1  0.189  0.940  0.691  1.0
[/CIF]
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