The material described by MgCo4OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(10), one F(11), one F(7), one F(8), and one F(9) atom to form distorted MgF6 octahedra that share  a cornercorner with one Co(1)OF5 octahedra, corners with two equivalent Co(4)F6 octahedra,  an edgeedge with one Co(3)F6 octahedra, edges with two equivalent Co(2)OF5 octahedra, and  a faceface with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(4), and one F(7) atom to form CoOF5 octahedra that share  a cornercorner with one Mg(1)F6 octahedra, corners with two equivalent Co(3)F6 octahedra, corners with four equivalent Co(2)OF5 octahedra, and  a faceface with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 24-61°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(4)F6 octahedra, corners with four equivalent Co(1)OF5 octahedra, and edges with two equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. In the third Co site, Co(3) is bonded to one F(3), one F(4), 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(1)OF5 octahedra, corners with four equivalent Co(4)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. In the fourth Co site, Co(4) is bonded to one F(2), one F(3), one F(5), one F(6), one F(8), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent Co(2)OF5 octahedra, and corners with four equivalent Co(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Co(2) and one Co(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(3) and one Co(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(3) 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 bent 150 degrees geometry to 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(1), and one Co(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one Co(4) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   5.141
_cell_length_c   5.489
_cell_angle_alpha   88.757
_cell_angle_beta   85.896
_cell_angle_gamma   89.723
_symmetry_Int_Tables_number   1
_cell_volume   213.364
_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  0.803  0.497  0.113  1.0
  Co  Co1  1  0.014  0.479  0.518  1.0
  Co  Co2  1  0.020  0.999  0.979  1.0
  Co  Co3  1  0.490  0.500  0.509  1.0
  Co  Co4  1  0.494  0.006  0.995  1.0
  O  O5  1  0.053  0.223  0.696  1.0
  F  F6  1  0.039  0.314  0.179  1.0
  F  F7  1  0.256  0.869  0.004  1.0
  F  F8  1  0.432  0.312  0.817  1.0
  F  F9  1  0.241  0.626  0.504  1.0
  F  F10  1  0.457  0.174  0.290  1.0
  F  F11  1  0.557  0.822  0.714  1.0
  F  F12  1  0.759  0.390  0.474  1.0
  F  F13  1  0.578  0.684  0.182  1.0
  F  F14  1  0.752  0.148  0.992  1.0
  F  F15  1  0.918  0.689  0.825  1.0
  F  F16  1  0.943  0.768  0.296  1.0
[/CIF]
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The material described by MgCo4OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(10), one F(11), one F(7), one F(8), and one F(9) atom to form distorted MgF6 octahedra that share  a cornercorner with one Co(1)OF5 octahedra, corners with two equivalent Co(4)F6 octahedra,  an edgeedge with one Co(3)F6 octahedra, edges with two equivalent Co(2)OF5 octahedra, and  a faceface with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(4), and one F(7) atom to form CoOF5 octahedra that share  a cornercorner with one Mg(1)F6 octahedra, corners with two equivalent Co(3)F6 octahedra, corners with four equivalent Co(2)OF5 octahedra, and  a faceface with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 24-61°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(4)F6 octahedra, corners with four equivalent Co(1)OF5 octahedra, and edges with two equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. In the third Co site, Co(3) is bonded to one F(3), one F(4), 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(1)OF5 octahedra, corners with four equivalent Co(4)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. In the fourth Co site, Co(4) is bonded to one F(2), one F(3), one F(5), one F(6), one F(8), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent Co(2)OF5 octahedra, and corners with four equivalent Co(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Co(2) and one Co(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(3) and one Co(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(3) 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 bent 150 degrees geometry to 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(1), and one Co(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one Co(4) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   5.141
_cell_length_c   5.489
_cell_angle_alpha   88.757
_cell_angle_beta   85.896
_cell_angle_gamma   89.723
_symmetry_Int_Tables_number   1
_cell_volume   213.364
_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  0.803  0.497  0.113  1.0
  Co  Co1  1  0.014  0.479  0.518  1.0
  Co  Co2  1  0.020  0.999  0.979  1.0
  Co  Co3  1  0.490  0.500  0.509  1.0
  Co  Co4  1  0.494  0.006  0.995  1.0
  O  O5  1  0.053  0.223  0.696  1.0
  F  F6  1  0.039  0.314  0.179  1.0
  F  F7  1  0.256  0.869  0.004  1.0
  F  F8  1  0.432  0.312  0.817  1.0
  F  F9  1  0.241  0.626  0.504  1.0
  F  F10  1  0.457  0.174  0.290  1.0
  F  F11  1  0.557  0.822  0.714  1.0
  F  F12  1  0.759  0.390  0.474  1.0
  F  F13  1  0.578  0.684  0.182  1.0
  F  F14  1  0.752  0.148  0.992  1.0
  F  F15  1  0.918  0.689  0.825  1.0
  F  F16  1  0.943  0.768  0.296  1.0
[/CIF]
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