The material described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(5), one O(7), one F(2), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(3)O4F square pyramid, edges with two equivalent Co(4)O2F4 octahedra, edges with two equivalent Co(6)O3F3 octahedra, and  an edgeedge with one Co(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 46-51°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(5)O3F3 octahedra, and  an edgeedge with one Co(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. In the third Co site, Co(3) is bonded to one O(2), one O(4), one O(5), one O(7), and one F(5) atom to form distorted CoO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(5)O3F3 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the fourth Co site, Co(4) is bonded to one O(2), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O4F square pyramids,  an edgeedge with one Co(5)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the fifth Co site, Co(5) is bonded to one O(1), one O(4), one O(6), 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(3)O4F square pyramids,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the sixth Co site, Co(6) is bonded to one O(1), one O(3), one O(7), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(3)O4F square pyramid,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(5)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(6) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(6) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), 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 Co(3), one Co(4), and one Co(5) atom. is represented by the CIF card [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   7.411
_cell_length_c   5.623
_cell_angle_alpha   96.581
_cell_angle_beta   99.353
_cell_angle_gamma   83.463
_symmetry_Int_Tables_number   1
_cell_volume   205.775
_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  0.491  0.834  0.823  1.0
  Co  Co1  1  0.577  0.029  0.422  1.0
  Co  Co2  1  0.500  0.327  0.829  1.0
  Co  Co3  1  0.469  0.634  0.220  1.0
  Co  Co4  1  0.989  0.645  0.674  1.0
  Co  Co5  1  0.002  0.319  0.329  1.0
  Co  Co6  1  0.998  0.006  0.997  1.0
  O  O7  1  0.860  0.089  0.291  1.0
  O  O8  1  0.634  0.765  0.500  1.0
  O  O9  1  0.664  0.081  0.802  1.0
  O  O10  1  0.673  0.415  0.144  1.0
  O  O11  1  0.347  0.576  0.861  1.0
  O  O12  1  0.336  0.234  0.510  1.0
  O  O13  1  0.344  0.904  0.149  1.0
  F  F14  1  0.828  0.409  0.635  1.0
  F  F15  1  0.844  0.754  0.989  1.0
  F  F16  1  0.171  0.244  0.011  1.0
  F  F17  1  0.123  0.904  0.690  1.0
  F  F18  1  0.149  0.562  0.351  1.0
[/CIF]
.
The material described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(5), one O(7), one F(2), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(3)O4F square pyramid, edges with two equivalent Co(4)O2F4 octahedra, edges with two equivalent Co(6)O3F3 octahedra, and  an edgeedge with one Co(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 46-51°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(5)O3F3 octahedra, and  an edgeedge with one Co(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. In the third Co site, Co(3) is bonded to one O(2), one O(4), one O(5), one O(7), and one F(5) atom to form distorted CoO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(5)O3F3 octahedra, corners with three equivalent Co(4)O2F4 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the fourth Co site, Co(4) is bonded to one O(2), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O4F square pyramids,  an edgeedge with one Co(5)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the fifth Co site, Co(5) is bonded to one O(1), one O(4), one O(6), 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(3)O4F square pyramids,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the sixth Co site, Co(6) is bonded to one O(1), one O(3), one O(7), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(3)O4F square pyramid,  an edgeedge with one Co(4)O2F4 octahedra,  an edgeedge with one Co(5)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(6) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(6) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), 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 Co(3), one Co(4), and one Co(5) atom. is represented by the CIF card [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   7.411
_cell_length_c   5.623
_cell_angle_alpha   96.581
_cell_angle_beta   99.353
_cell_angle_gamma   83.463
_symmetry_Int_Tables_number   1
_cell_volume   205.775
_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  0.491  0.834  0.823  1.0
  Co  Co1  1  0.577  0.029  0.422  1.0
  Co  Co2  1  0.500  0.327  0.829  1.0
  Co  Co3  1  0.469  0.634  0.220  1.0
  Co  Co4  1  0.989  0.645  0.674  1.0
  Co  Co5  1  0.002  0.319  0.329  1.0
  Co  Co6  1  0.998  0.006  0.997  1.0
  O  O7  1  0.860  0.089  0.291  1.0
  O  O8  1  0.634  0.765  0.500  1.0
  O  O9  1  0.664  0.081  0.802  1.0
  O  O10  1  0.673  0.415  0.144  1.0
  O  O11  1  0.347  0.576  0.861  1.0
  O  O12  1  0.336  0.234  0.510  1.0
  O  O13  1  0.344  0.904  0.149  1.0
  F  F14  1  0.828  0.409  0.635  1.0
  F  F15  1  0.844  0.754  0.989  1.0
  F  F16  1  0.171  0.244  0.011  1.0
  F  F17  1  0.123  0.904  0.690  1.0
  F  F18  1  0.149  0.562  0.351  1.0
[/CIF]
.