The structure described by Cr4(OF3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(2), one F(3), one F(5), and one F(9) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(2), one F(4), one F(7), and one F(9) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one O(2), one F(1), one F(4), one F(6), one F(7), and one F(8) atom. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(3), one F(5), one F(6), and one F(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. There are nine 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(3) 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 one Cr(1) and one Cr(4) atom. In the fourth F site, F(4) is bonded in a bent 120 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(3) 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(3) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Cr(3) and one Cr(4) atom. In the ninth F site, F(9) 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_Cr4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.033
_cell_length_b   5.306
_cell_length_c   8.824
_cell_angle_alpha   107.365
_cell_angle_beta   89.548
_cell_angle_gamma   117.851
_symmetry_Int_Tables_number   1
_cell_volume   196.416
_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  0.255  0.753  0.751  1.0
  Cr  Cr1  1  0.490  0.507  0.501  1.0
  Cr  Cr2  1  0.730  0.244  0.244  1.0
  Cr  Cr3  1  0.032  0.998  0.006  1.0
  O  O4  1  0.179  0.827  0.912  1.0
  O  O5  1  0.311  0.057  0.184  1.0
  O  O6  1  0.321  0.676  0.589  1.0
  F  F7  1  0.176  0.432  0.316  1.0
  F  F8  1  0.251  0.121  0.622  1.0
  F  F9  1  0.254  0.379  0.879  1.0
  F  F10  1  0.680  0.321  0.433  1.0
  F  F11  1  0.688  0.939  0.819  1.0
  F  F12  1  0.761  0.627  0.122  1.0
  F  F13  1  0.737  0.875  0.374  1.0
  F  F14  1  0.819  0.181  0.062  1.0
  F  F15  1  0.816  0.563  0.685  1.0
[/CIF]
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The structure described by Cr4(OF3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(2), one F(3), one F(5), and one F(9) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(2), one F(4), one F(7), and one F(9) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one O(2), one F(1), one F(4), one F(6), one F(7), and one F(8) atom. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(3), one F(5), one F(6), and one F(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. There are nine 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(3) 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 one Cr(1) and one Cr(4) atom. In the fourth F site, F(4) is bonded in a bent 120 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(3) 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(3) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Cr(3) and one Cr(4) atom. In the ninth F site, F(9) 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_Cr4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.033
_cell_length_b   5.306
_cell_length_c   8.824
_cell_angle_alpha   107.365
_cell_angle_beta   89.548
_cell_angle_gamma   117.851
_symmetry_Int_Tables_number   1
_cell_volume   196.416
_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  0.255  0.753  0.751  1.0
  Cr  Cr1  1  0.490  0.507  0.501  1.0
  Cr  Cr2  1  0.730  0.244  0.244  1.0
  Cr  Cr3  1  0.032  0.998  0.006  1.0
  O  O4  1  0.179  0.827  0.912  1.0
  O  O5  1  0.311  0.057  0.184  1.0
  O  O6  1  0.321  0.676  0.589  1.0
  F  F7  1  0.176  0.432  0.316  1.0
  F  F8  1  0.251  0.121  0.622  1.0
  F  F9  1  0.254  0.379  0.879  1.0
  F  F10  1  0.680  0.321  0.433  1.0
  F  F11  1  0.688  0.939  0.819  1.0
  F  F12  1  0.761  0.627  0.122  1.0
  F  F13  1  0.737  0.875  0.374  1.0
  F  F14  1  0.819  0.181  0.062  1.0
  F  F15  1  0.816  0.563  0.685  1.0
[/CIF]
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