The crystal structure described by MgCo4OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(3), one F(4), one F(6), one F(7), and one F(8) atom to form distorted MgF6 octahedra that share corners with two equivalent Co(2)F6 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and edges with two equivalent Co(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(10), one F(2), one F(3), one F(4), and one F(9) atom to form CoOF5 octahedra that share corners with four equivalent Co(2)F6 octahedra and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the second Co site, Co(2) is bonded to one F(1), one F(10), one F(11), one F(2), one F(4), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent Co(4)F6 octahedra, and corners with four equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(1), one F(3), one F(5), one F(6), one F(7), and one F(8) atom. In the fourth Co site, Co(4) is bonded to one F(1), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form CoF6 octahedra that share corners with two equivalent Co(2)F6 octahedra and edges with two equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Co(3) and one Co(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(4) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mg(1), one Co(3), and one Co(4) atom. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Mg(1), one Co(3), and one Co(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Co(2) and one Co(4) atom. is represented by the CIF card [CIF]
data_MgCo4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.637
_cell_length_b   5.199
_cell_length_c   5.454
_cell_angle_alpha   90.475
_cell_angle_beta   95.528
_cell_angle_gamma   90.403
_symmetry_Int_Tables_number   1
_cell_volume   215.548
_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  0.301  0.502  0.883  1.0
  Co  Co1  1  0.984  0.493  0.484  1.0
  Co  Co2  1  0.994  0.993  0.001  1.0
  Co  Co3  1  0.543  0.493  0.491  1.0
  Co  Co4  1  0.515  0.006  0.009  1.0
  O  O5  1  0.762  0.380  0.501  1.0
  F  F6  1  0.245  0.852  0.001  1.0
  F  F7  1  0.061  0.185  0.290  1.0
  F  F8  1  0.227  0.595  0.527  1.0
  F  F9  1  0.075  0.311  0.821  1.0
  F  F10  1  0.548  0.816  0.326  1.0
  F  F11  1  0.424  0.338  0.181  1.0
  F  F12  1  0.531  0.676  0.811  1.0
  F  F13  1  0.431  0.224  0.705  1.0
  F  F14  1  0.938  0.690  0.184  1.0
  F  F15  1  0.947  0.817  0.702  1.0
  F  F16  1  0.761  0.128  0.996  1.0
[/CIF]
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The crystal structure described by MgCo4OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(3), one F(4), one F(6), one F(7), and one F(8) atom to form distorted MgF6 octahedra that share corners with two equivalent Co(2)F6 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and edges with two equivalent Co(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(10), one F(2), one F(3), one F(4), and one F(9) atom to form CoOF5 octahedra that share corners with four equivalent Co(2)F6 octahedra and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the second Co site, Co(2) is bonded to one F(1), one F(10), one F(11), one F(2), one F(4), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent Co(4)F6 octahedra, and corners with four equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(1), one F(3), one F(5), one F(6), one F(7), and one F(8) atom. In the fourth Co site, Co(4) is bonded to one F(1), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form CoF6 octahedra that share corners with two equivalent Co(2)F6 octahedra and edges with two equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Co(3) and one Co(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(4) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mg(1), one Co(3), and one Co(4) atom. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Mg(1), one Co(3), and one Co(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Co(2) and one Co(4) atom. is represented by the CIF card [CIF]
data_MgCo4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.637
_cell_length_b   5.199
_cell_length_c   5.454
_cell_angle_alpha   90.475
_cell_angle_beta   95.528
_cell_angle_gamma   90.403
_symmetry_Int_Tables_number   1
_cell_volume   215.548
_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  0.301  0.502  0.883  1.0
  Co  Co1  1  0.984  0.493  0.484  1.0
  Co  Co2  1  0.994  0.993  0.001  1.0
  Co  Co3  1  0.543  0.493  0.491  1.0
  Co  Co4  1  0.515  0.006  0.009  1.0
  O  O5  1  0.762  0.380  0.501  1.0
  F  F6  1  0.245  0.852  0.001  1.0
  F  F7  1  0.061  0.185  0.290  1.0
  F  F8  1  0.227  0.595  0.527  1.0
  F  F9  1  0.075  0.311  0.821  1.0
  F  F10  1  0.548  0.816  0.326  1.0
  F  F11  1  0.424  0.338  0.181  1.0
  F  F12  1  0.531  0.676  0.811  1.0
  F  F13  1  0.431  0.224  0.705  1.0
  F  F14  1  0.938  0.690  0.184  1.0
  F  F15  1  0.947  0.817  0.702  1.0
  F  F16  1  0.761  0.128  0.996  1.0
[/CIF]
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