The material structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form MgO3F3 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, edges with two equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(1)O4F square pyramid, and faces with two equivalent Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one F(2) atom to form CoO4F square pyramids that share  a cornercorner with one Co(4)O3F3 octahedra, corners with two equivalent Co(5)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(5)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Co(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 38-53°. In the third Co site, Co(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one F(2) atom. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(5) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(1)O4F square pyramid,  an edgeedge with one Co(5)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. In the fifth Co site, Co(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(1)O4F square pyramids,  an edgeedge with one Co(4)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one F(2), one F(3), and one F(4) atom to form distorted CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(1)O4F square pyramids,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(5) atom to form distorted corner-sharing OMgCo3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(5) atom to form corner-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Co(4) and one Co(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(4), and one Co(5) atom. is represented by the CIF file [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.071
_cell_length_b   7.698
_cell_length_c   5.926
_cell_angle_alpha   100.900
_cell_angle_beta   101.310
_cell_angle_gamma   82.107
_symmetry_Int_Tables_number   1
_cell_volume   221.538
_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  0.485  0.350  0.334  1.0
  Co  Co1  1  0.573  0.010  0.490  1.0
  Co  Co2  1  0.487  0.336  0.838  1.0
  Co  Co3  1  0.584  0.689  0.110  1.0
  Co  Co4  1  0.989  0.674  0.683  1.0
  Co  Co5  1  0.990  0.322  0.344  1.0
  Co  Co6  1  0.943  0.002  0.021  1.0
  O  O7  1  0.802  0.772  0.955  1.0
  O  O8  1  0.782  0.118  0.293  1.0
  O  O9  1  0.726  0.769  0.447  1.0
  O  O10  1  0.694  0.114  0.811  1.0
  O  O11  1  0.682  0.437  0.128  1.0
  O  O12  1  0.298  0.563  0.860  1.0
  O  O13  1  0.324  0.228  0.539  1.0
  F  F14  1  0.773  0.444  0.607  1.0
  F  F15  1  0.301  0.900  0.210  1.0
  F  F16  1  0.211  0.233  0.072  1.0
  F  F17  1  0.154  0.898  0.760  1.0
  F  F18  1  0.187  0.540  0.390  1.0
[/CIF]
.
The material structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form MgO3F3 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, edges with two equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(1)O4F square pyramid, and faces with two equivalent Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one F(2) atom to form CoO4F square pyramids that share  a cornercorner with one Co(4)O3F3 octahedra, corners with two equivalent Co(5)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(5)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Co(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 38-53°. In the third Co site, Co(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one F(2) atom. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(5) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(1)O4F square pyramid,  an edgeedge with one Co(5)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. In the fifth Co site, Co(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(1)O4F square pyramids,  an edgeedge with one Co(4)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one F(2), one F(3), and one F(4) atom to form distorted CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(1)O4F square pyramids,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(5) atom to form distorted corner-sharing OMgCo3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(5) atom to form corner-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Co(4) and one Co(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(4), and one Co(5) atom. is represented by the CIF file [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.071
_cell_length_b   7.698
_cell_length_c   5.926
_cell_angle_alpha   100.900
_cell_angle_beta   101.310
_cell_angle_gamma   82.107
_symmetry_Int_Tables_number   1
_cell_volume   221.538
_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  0.485  0.350  0.334  1.0
  Co  Co1  1  0.573  0.010  0.490  1.0
  Co  Co2  1  0.487  0.336  0.838  1.0
  Co  Co3  1  0.584  0.689  0.110  1.0
  Co  Co4  1  0.989  0.674  0.683  1.0
  Co  Co5  1  0.990  0.322  0.344  1.0
  Co  Co6  1  0.943  0.002  0.021  1.0
  O  O7  1  0.802  0.772  0.955  1.0
  O  O8  1  0.782  0.118  0.293  1.0
  O  O9  1  0.726  0.769  0.447  1.0
  O  O10  1  0.694  0.114  0.811  1.0
  O  O11  1  0.682  0.437  0.128  1.0
  O  O12  1  0.298  0.563  0.860  1.0
  O  O13  1  0.324  0.228  0.539  1.0
  F  F14  1  0.773  0.444  0.607  1.0
  F  F15  1  0.301  0.900  0.210  1.0
  F  F16  1  0.211  0.233  0.072  1.0
  F  F17  1  0.154  0.898  0.760  1.0
  F  F18  1  0.187  0.540  0.390  1.0
[/CIF]
.