The structure described by CaCo6(OF5)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(2), one F(10), one F(2), one F(5), one F(6), and one F(9) atom to form distorted CaOF5 octahedra that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(2)OF4 square pyramid,  a cornercorner with one Co(4)O2F3 trigonal bipyramid,  a cornercorner with one Co(5)OF4 trigonal bipyramid,  a cornercorner with one Co(6)OF3 trigonal pyramid, edges with two equivalent Co(3)F6 octahedra, and  an edgeedge with one Co(5)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom. In the second Co site, Co(2) is bonded to one O(1), one F(10), one F(3), one F(7), and one F(8) atom to form distorted CoOF4 square pyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with three equivalent Co(4)O2F3 trigonal bipyramids, corners with three equivalent Co(6)OF3 trigonal pyramids, and  an edgeedge with one Co(3)F6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CoF6 octahedra that share  a cornercorner with one Ca(1)OF5 octahedra, corners with two equivalent Co(5)OF4 trigonal bipyramids, corners with two equivalent Co(6)OF3 trigonal pyramids, edges with two equivalent Ca(1)OF5 octahedra, and  an edgeedge with one Co(2)OF4 square pyramid. The corner-sharing octahedral tilt angles are 44°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(4), one F(7), and one F(8) atom to form distorted CoO2F3 trigonal bipyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with three equivalent Co(2)OF4 square pyramids,  an edgeedge with one Co(5)OF4 trigonal bipyramid, and  an edgeedge with one Co(6)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles are 55°. In the fifth Co site, Co(5) is bonded to one O(2), one F(1), one F(2), one F(4), and one F(5) atom to form distorted CoOF4 trigonal bipyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with two equivalent Co(3)F6 octahedra,  an edgeedge with one Ca(1)OF5 octahedra, and  an edgeedge with one Co(4)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-77°. In the sixth Co site, Co(6) is bonded to one O(1), one F(3), one F(6), and one F(7) atom to form CoOF3 trigonal pyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with two equivalent Co(3)F6 octahedra, corners with three equivalent Co(2)OF4 square pyramids, and  an edgeedge with one Co(4)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Ca(1), one Co(1), one Co(4), and one Co(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Co(1) and one Co(5) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ca(1), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Ca(1), one Co(1), and one Co(3) atom. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Ca(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_CaCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.466
_cell_length_c   9.267
_cell_angle_alpha   97.443
_cell_angle_beta   89.044
_cell_angle_gamma   103.806
_symmetry_Int_Tables_number   1
_cell_volume   262.483
_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
  Ca  Ca0  1  0.729  0.401  0.743  1.0
  Co  Co1  1  0.918  0.917  0.011  1.0
  Co  Co2  1  0.052  0.103  0.331  1.0
  Co  Co3  1  0.039  0.979  0.662  1.0
  Co  Co4  1  0.584  0.417  0.155  1.0
  Co  Co5  1  0.293  0.557  0.943  1.0
  Co  Co6  1  0.476  0.670  0.436  1.0
  O  O7  1  0.355  0.360  0.318  1.0
  O  O8  1  0.658  0.595  0.978  1.0
  F  F9  1  0.174  0.768  0.106  1.0
  F  F10  1  0.110  0.712  0.797  1.0
  F  F11  1  0.243  0.897  0.484  1.0
  F  F12  1  0.243  0.217  0.013  1.0
  F  F13  1  0.310  0.295  0.731  1.0
  F  F14  1  0.704  0.705  0.608  1.0
  F  F15  1  0.781  0.766  0.308  1.0
  F  F16  1  0.811  0.173  0.172  1.0
  F  F17  1  0.824  0.078  0.835  1.0
  F  F18  1  0.892  0.198  0.535  1.0
[/CIF]
.
The structure described by CaCo6(OF5)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(2), one F(10), one F(2), one F(5), one F(6), and one F(9) atom to form distorted CaOF5 octahedra that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(2)OF4 square pyramid,  a cornercorner with one Co(4)O2F3 trigonal bipyramid,  a cornercorner with one Co(5)OF4 trigonal bipyramid,  a cornercorner with one Co(6)OF3 trigonal pyramid, edges with two equivalent Co(3)F6 octahedra, and  an edgeedge with one Co(5)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom. In the second Co site, Co(2) is bonded to one O(1), one F(10), one F(3), one F(7), and one F(8) atom to form distorted CoOF4 square pyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with three equivalent Co(4)O2F3 trigonal bipyramids, corners with three equivalent Co(6)OF3 trigonal pyramids, and  an edgeedge with one Co(3)F6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CoF6 octahedra that share  a cornercorner with one Ca(1)OF5 octahedra, corners with two equivalent Co(5)OF4 trigonal bipyramids, corners with two equivalent Co(6)OF3 trigonal pyramids, edges with two equivalent Ca(1)OF5 octahedra, and  an edgeedge with one Co(2)OF4 square pyramid. The corner-sharing octahedral tilt angles are 44°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(4), one F(7), and one F(8) atom to form distorted CoO2F3 trigonal bipyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with three equivalent Co(2)OF4 square pyramids,  an edgeedge with one Co(5)OF4 trigonal bipyramid, and  an edgeedge with one Co(6)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles are 55°. In the fifth Co site, Co(5) is bonded to one O(2), one F(1), one F(2), one F(4), and one F(5) atom to form distorted CoOF4 trigonal bipyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with two equivalent Co(3)F6 octahedra,  an edgeedge with one Ca(1)OF5 octahedra, and  an edgeedge with one Co(4)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-77°. In the sixth Co site, Co(6) is bonded to one O(1), one F(3), one F(6), and one F(7) atom to form CoOF3 trigonal pyramids that share  a cornercorner with one Ca(1)OF5 octahedra, corners with two equivalent Co(3)F6 octahedra, corners with three equivalent Co(2)OF4 square pyramids, and  an edgeedge with one Co(4)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Ca(1), one Co(1), one Co(4), and one Co(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Co(1) and one Co(5) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ca(1), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Ca(1), one Co(1), and one Co(3) atom. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Ca(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_CaCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.466
_cell_length_c   9.267
_cell_angle_alpha   97.443
_cell_angle_beta   89.044
_cell_angle_gamma   103.806
_symmetry_Int_Tables_number   1
_cell_volume   262.483
_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
  Ca  Ca0  1  0.729  0.401  0.743  1.0
  Co  Co1  1  0.918  0.917  0.011  1.0
  Co  Co2  1  0.052  0.103  0.331  1.0
  Co  Co3  1  0.039  0.979  0.662  1.0
  Co  Co4  1  0.584  0.417  0.155  1.0
  Co  Co5  1  0.293  0.557  0.943  1.0
  Co  Co6  1  0.476  0.670  0.436  1.0
  O  O7  1  0.355  0.360  0.318  1.0
  O  O8  1  0.658  0.595  0.978  1.0
  F  F9  1  0.174  0.768  0.106  1.0
  F  F10  1  0.110  0.712  0.797  1.0
  F  F11  1  0.243  0.897  0.484  1.0
  F  F12  1  0.243  0.217  0.013  1.0
  F  F13  1  0.310  0.295  0.731  1.0
  F  F14  1  0.704  0.705  0.608  1.0
  F  F15  1  0.781  0.766  0.308  1.0
  F  F16  1  0.811  0.173  0.172  1.0
  F  F17  1  0.824  0.078  0.835  1.0
  F  F18  1  0.892  0.198  0.535  1.0
[/CIF]
.