The structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. In the third Co site, Co(3) is bonded to one O(4), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form edge-sharing CoO2F4 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing CoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-57°. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted L-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. is represented by the CIF card [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.974
_cell_length_b   5.116
_cell_length_c   8.562
_cell_angle_alpha   90.033
_cell_angle_beta   89.957
_cell_angle_gamma   100.660
_symmetry_Int_Tables_number   1
_cell_volume   214.116
_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
  Mg  Mg0  1  0.946  0.486  0.166  1.0
  Co  Co1  1  0.023  0.993  0.997  1.0
  Co  Co2  1  0.022  0.993  0.336  1.0
  Co  Co3  1  0.993  0.986  0.667  1.0
  Co  Co4  1  0.448  0.587  0.167  1.0
  Co  Co5  1  0.487  0.508  0.833  1.0
  Co  Co6  1  0.487  0.509  0.500  1.0
  O  O7  1  0.217  0.833  0.167  1.0
  O  O8  1  0.262  0.364  0.325  1.0
  O  O9  1  0.261  0.364  0.008  1.0
  O  O10  1  0.296  0.324  0.667  1.0
  O  O11  1  0.703  0.677  0.667  1.0
  O  O12  1  0.714  0.652  0.005  1.0
  O  O13  1  0.714  0.651  0.327  1.0
  F  F14  1  0.219  0.834  0.826  1.0
  F  F15  1  0.217  0.834  0.507  1.0
  F  F16  1  0.778  0.127  0.167  1.0
  F  F17  1  0.806  0.152  0.834  1.0
  F  F18  1  0.809  0.154  0.499  1.0
[/CIF]
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The structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. In the third Co site, Co(3) is bonded to one O(4), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form edge-sharing CoO2F4 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing CoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-57°. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted L-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. is represented by the CIF card [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.974
_cell_length_b   5.116
_cell_length_c   8.562
_cell_angle_alpha   90.033
_cell_angle_beta   89.957
_cell_angle_gamma   100.660
_symmetry_Int_Tables_number   1
_cell_volume   214.116
_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
  Mg  Mg0  1  0.946  0.486  0.166  1.0
  Co  Co1  1  0.023  0.993  0.997  1.0
  Co  Co2  1  0.022  0.993  0.336  1.0
  Co  Co3  1  0.993  0.986  0.667  1.0
  Co  Co4  1  0.448  0.587  0.167  1.0
  Co  Co5  1  0.487  0.508  0.833  1.0
  Co  Co6  1  0.487  0.509  0.500  1.0
  O  O7  1  0.217  0.833  0.167  1.0
  O  O8  1  0.262  0.364  0.325  1.0
  O  O9  1  0.261  0.364  0.008  1.0
  O  O10  1  0.296  0.324  0.667  1.0
  O  O11  1  0.703  0.677  0.667  1.0
  O  O12  1  0.714  0.652  0.005  1.0
  O  O13  1  0.714  0.651  0.327  1.0
  F  F14  1  0.219  0.834  0.826  1.0
  F  F15  1  0.217  0.834  0.507  1.0
  F  F16  1  0.778  0.127  0.167  1.0
  F  F17  1  0.806  0.152  0.834  1.0
  F  F18  1  0.809  0.154  0.499  1.0
[/CIF]
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