data_Co6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   5.71
_cell_length_c   7.9
_cell_angle_alpha   86.74
_cell_angle_beta   89.6
_cell_angle_gamma   89.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6OF11
_chemical_formula_sum   'Co6 O1 F11'
_cell_volume   213.7
_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
  Co  Co0  1  0.54  0.23  0.84  1.0
  Co  Co1  1  0.47  0.03  0.24  1.0
  Co  Co2  1  0.39  0.11  0.64  1.0
  Co  Co3  1  0.07  0.94  0.6  1.0
  Co  Co4  1  0.75  0.17  0.4  1.0
  Co  Co5  1  0.76  0.55  0.81  1.0
  O  O6  1  0.83  0.14  0.12  1.0
  F  F7  1  0.89  0.84  0.47  1.0
  F  F8  1  0.87  0.63  0.81  1.0
  F  F9  1  0.32  0.78  0.86  1.0
  F  F10  1  0.41  0.96  0.07  1.0
  F  F11  1  0.37  0.98  0.46  1.0
  F  F12  1  0.51  0.14  0.41  1.0
  F  F13  1  0.5  0.39  0.05  1.0
  F  F14  1  0.43  0.21  0.81  1.0
  F  F15  1  0.02  0.51  0.03  1.0
  F  F16  1  0.99  0.07  0.74  1.0
  F  F17  1  0.95  0.29  0.49  1.0

data_Co6OF11
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   5.71
_cell_length_c   7.9
_cell_angle_alpha   86.74
_cell_angle_beta   89.6
_cell_angle_gamma   89.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6OF11
_chemical_formula_sum   'Co6 O1 F11'
_cell_volume   213.7
_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
  Co  Co0  1  0.07  0.94  0.6  1.0
  Co  Co1  1  0.39  0.11  0.64  1.0
  Co  Co2  1  0.47  0.03  0.24  1.0
  Co  Co3  1  0.54  0.23  0.84  1.0
  Co  Co4  1  0.75  0.17  0.4  1.0
  Co  Co5  1  0.76  0.55  0.81  1.0
  O  O6  1  0.83  0.14  0.12  1.0
  F  F7  1  0.02  0.51  0.03  1.0
  F  F8  1  0.32  0.78  0.86  1.0
  F  F9  1  0.37  0.98  0.46  1.0
  F  F10  1  0.41  0.96  0.07  1.0
  F  F11  1  0.43  0.21  0.81  1.0
  F  F12  1  0.5  0.39  0.05  1.0
  F  F13  1  0.51  0.14  0.41  1.0
  F  F14  1  0.87  0.63  0.81  1.0
  F  F15  1  0.89  0.84  0.47  1.0
  F  F16  1  0.95  0.29  0.49  1.0
  F  F17  1  0.99  0.07  0.74  1.0

Co Co Co Co Co Co O F F F F F F F F F F F
Co Co Co Co Co Co O F F F F F F F F F F F 0 14 o o o 0 2 o o o 0 9 o - o 0 13 o o + 1 10 o - o 1 12 o o o 1 6 o o o 1 13 o o o 2 11 o - o 2 3 o - o 2 12 o o o 2 14 o o o 2 9 o - o 3 7 - o o 3 16 - + o 3 9 o o o 4 12 o o o 4 17 o o o 4 6 o o o 5 8 o o o 5 9 o o o 5 13 o o + 5 15 + o + 6 10 o - o 6 13 o o o 6 15 + o o 8 9 + o o 8 9 o o o 8 15 + o + 9 15 o o + 9 16 - + o 9 13 o o + 9 14 o + o 9 10 o o + 10 13 o + o 11 12 o + o 13 14 o o - 13 15 o o o 13 15 + o o 
Co6OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one F(7) and one F(8) atom. The Co(1)-F(7) bond length is 1.96 Å. The Co(1)-F(8) bond length is 0.58 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one O(1), one F(4), one F(5), one F(6), and one F(7) atom. The Co(2)-O(1) bond length is 2.01 Å. The Co(2)-F(4) bond length is 1.41 Å. The Co(2)-F(5) bond length is 1.78 Å. The Co(2)-F(6) bond length is 1.57 Å. The Co(2)-F(7) bond length is 2.51 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one F(3), one F(5), one F(6), and one F(8) atom. The Co(3)-F(3) bond length is 2.49 Å. The Co(3)-F(5) bond length is 1.67 Å. The Co(3)-F(6) bond length is 1.88 Å. The Co(3)-F(8) bond length is 1.51 Å. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one F(1), one F(10), one F(3), and one F(5) atom. The Co(4)-F(1) bond length is 1.53 Å. The Co(4)-F(10) bond length is 1.41 Å. The Co(4)-F(3) bond length is 2.49 Å. The Co(4)-F(5) bond length is 1.84 Å. In the fifth Co site, Co(5) is bonded in a 2-coordinate geometry to one O(1), one F(1), one F(11), and one F(6) atom. The Co(5)-O(1) bond length is 2.27 Å. The Co(5)-F(1) bond length is 2.06 Å. The Co(5)-F(11) bond length is 1.39 Å. The Co(5)-F(6) bond length is 1.16 Å. In the sixth Co site, Co(6) is bonded in a single-bond geometry to one F(2), one F(3), one F(7), and one F(9) atom. The Co(6)-F(2) bond length is 0.70 Å. The Co(6)-F(3) bond length is 2.49 Å. The Co(6)-F(7) bond length is 2.36 Å. The Co(6)-F(9) bond length is 2.13 Å. O(1) is bonded in a 2-coordinate geometry to one Co(2) and one Co(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Co(4) and one Co(5) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Co(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Co(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Co(4), and one F(6) atom. The F(5)-F(6) bond length is 1.14 Å. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Co(5), and one F(5) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Co(1) and one Co(3) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Co(6) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Co(4) atom. In the eleventh F site, F(11) is bonded in a distorted single-bond geometry to one Co(5) atom.