The compound described by CrCoNF6 crystallizes in the orthorhombic Imma space group. Cr(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent F(1), and four equivalent F(3) atoms. Co(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent F(2), and four equivalent F(3) atoms. N(1) is bonded to two equivalent Cr(1) and two equivalent Co(1) atoms to form corner-sharing NCr2Co2 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCoNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.099
_cell_length_b   7.099
_cell_length_c   7.099
_cell_angle_alpha   121.547
_cell_angle_beta   119.003
_cell_angle_gamma   89.539
_symmetry_Int_Tables_number   1
_cell_volume   251.766
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  N  N4  1  0.123  0.873  0.250  1.0
  N  N5  1  0.877  0.127  0.750  1.0
  F  F6  1  0.339  0.089  0.250  1.0
  F  F7  1  0.903  0.653  0.250  1.0
  F  F8  1  0.349  0.659  0.257  1.0
  F  F9  1  0.901  0.092  0.243  1.0
  F  F10  1  0.349  0.092  0.690  1.0
  F  F11  1  0.901  0.659  0.810  1.0
  F  F12  1  0.661  0.911  0.750  1.0
  F  F13  1  0.097  0.347  0.750  1.0
  F  F14  1  0.651  0.341  0.743  1.0
  F  F15  1  0.099  0.908  0.757  1.0
  F  F16  1  0.651  0.908  0.310  1.0
  F  F17  1  0.099  0.341  0.190  1.0
[/CIF]
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The compound described by CrCoNF6 crystallizes in the orthorhombic Imma space group. Cr(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent F(1), and four equivalent F(3) atoms. Co(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent F(2), and four equivalent F(3) atoms. N(1) is bonded to two equivalent Cr(1) and two equivalent Co(1) atoms to form corner-sharing NCr2Co2 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCoNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.099
_cell_length_b   7.099
_cell_length_c   7.099
_cell_angle_alpha   121.547
_cell_angle_beta   119.003
_cell_angle_gamma   89.539
_symmetry_Int_Tables_number   1
_cell_volume   251.766
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  N  N4  1  0.123  0.873  0.250  1.0
  N  N5  1  0.877  0.127  0.750  1.0
  F  F6  1  0.339  0.089  0.250  1.0
  F  F7  1  0.903  0.653  0.250  1.0
  F  F8  1  0.349  0.659  0.257  1.0
  F  F9  1  0.901  0.092  0.243  1.0
  F  F10  1  0.349  0.092  0.690  1.0
  F  F11  1  0.901  0.659  0.810  1.0
  F  F12  1  0.661  0.911  0.750  1.0
  F  F13  1  0.097  0.347  0.750  1.0
  F  F14  1  0.651  0.341  0.743  1.0
  F  F15  1  0.099  0.908  0.757  1.0
  F  F16  1  0.651  0.908  0.310  1.0
  F  F17  1  0.099  0.341  0.190  1.0
[/CIF]
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