The compound described by Cr4OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one F(10), one F(2), one F(5), one F(8), and one F(9) atom to form CrOF5 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 32-40°. In the second Cr site, Cr(2) is bonded to one F(1), one F(11), one F(3), one F(4), one F(6), and one F(7) 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 35-36°. In the third Cr site, Cr(3) is bonded to one O(1), one F(11), one F(3), one F(4), one F(8), and one F(9) 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 32-38°. In the fourth Cr site, Cr(4) is bonded to one F(1), one F(10), one F(2), one F(5), one F(6), and one F(7) atom 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 34-40°. 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(2) and one Cr(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) 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(2) and one Cr(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) 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 card [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.336
_cell_length_c   8.781
_cell_angle_alpha   74.699
_cell_angle_beta   89.680
_cell_angle_gamma   118.215
_symmetry_Int_Tables_number   1
_cell_volume   200.775
_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  0.499  0.983  0.492  1.0
  Cr  Cr1  1  0.999  0.001  0.000  1.0
  Cr  Cr2  1  0.251  0.505  0.254  1.0
  Cr  Cr3  1  0.748  0.497  0.748  1.0
  O  O4  1  0.501  0.761  0.381  1.0
  F  F5  1  0.990  0.748  0.874  1.0
  F  F6  1  0.565  0.753  0.683  1.0
  F  F7  1  0.567  0.753  0.069  1.0
  F  F8  1  0.007  0.252  0.126  1.0
  F  F9  1  0.508  0.244  0.622  1.0
  F  F10  1  0.934  0.249  0.815  1.0
  F  F11  1  0.433  0.251  0.932  1.0
  F  F12  1  0.930  0.252  0.437  1.0
  F  F13  1  0.434  0.248  0.320  1.0
  F  F14  1  0.068  0.751  0.564  1.0
  F  F15  1  0.066  0.754  0.185  1.0
[/CIF]
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The compound described by Cr4OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one F(10), one F(2), one F(5), one F(8), and one F(9) atom to form CrOF5 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 32-40°. In the second Cr site, Cr(2) is bonded to one F(1), one F(11), one F(3), one F(4), one F(6), and one F(7) 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 35-36°. In the third Cr site, Cr(3) is bonded to one O(1), one F(11), one F(3), one F(4), one F(8), and one F(9) 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 32-38°. In the fourth Cr site, Cr(4) is bonded to one F(1), one F(10), one F(2), one F(5), one F(6), and one F(7) atom 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 34-40°. 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(2) and one Cr(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) 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(2) and one Cr(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) 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 card [CIF]
data_Cr4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.336
_cell_length_c   8.781
_cell_angle_alpha   74.699
_cell_angle_beta   89.680
_cell_angle_gamma   118.215
_symmetry_Int_Tables_number   1
_cell_volume   200.775
_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  0.499  0.983  0.492  1.0
  Cr  Cr1  1  0.999  0.001  0.000  1.0
  Cr  Cr2  1  0.251  0.505  0.254  1.0
  Cr  Cr3  1  0.748  0.497  0.748  1.0
  O  O4  1  0.501  0.761  0.381  1.0
  F  F5  1  0.990  0.748  0.874  1.0
  F  F6  1  0.565  0.753  0.683  1.0
  F  F7  1  0.567  0.753  0.069  1.0
  F  F8  1  0.007  0.252  0.126  1.0
  F  F9  1  0.508  0.244  0.622  1.0
  F  F10  1  0.934  0.249  0.815  1.0
  F  F11  1  0.433  0.251  0.932  1.0
  F  F12  1  0.930  0.252  0.437  1.0
  F  F13  1  0.434  0.248  0.320  1.0
  F  F14  1  0.068  0.751  0.564  1.0
  F  F15  1  0.066  0.754  0.185  1.0
[/CIF]
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