The structure described by MgCo6(O3F)3 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent F(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(2), one F(1), and one F(2) atom to form edge-sharing CoO4F2 octahedra. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third Co site, Co(3) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), and two equivalent Co(4) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(O3F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.806
_cell_length_b   4.806
_cell_length_c   8.943
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   101.287
_symmetry_Int_Tables_number   1
_cell_volume   202.563
_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  0.708  0.292  0.667  1.0
  Co  Co1  1  0.001  0.999  0.007  1.0
  Co  Co2  1  0.001  0.999  0.326  1.0
  Co  Co3  1  0.070  0.930  0.667  1.0
  Co  Co4  1  0.573  0.427  0.167  1.0
  Co  Co5  1  0.439  0.561  0.854  1.0
  Co  Co6  1  0.439  0.561  0.479  1.0
  O  O7  1  0.178  0.822  0.846  1.0
  O  O8  1  0.178  0.822  0.487  1.0
  O  O9  1  0.314  0.307  0.324  1.0
  O  O10  1  0.314  0.307  0.009  1.0
  O  O11  1  0.286  0.314  0.667  1.0
  O  O12  1  0.686  0.714  0.667  1.0
  O  O13  1  0.693  0.686  0.009  1.0
  O  O14  1  0.693  0.686  0.324  1.0
  O  O15  1  0.826  0.174  0.167  1.0
  F  F16  1  0.185  0.815  0.167  1.0
  F  F17  1  0.805  0.195  0.854  1.0
  F  F18  1  0.805  0.195  0.479  1.0
[/CIF]
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The structure described by MgCo6(O3F)3 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent F(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(2), one F(1), and one F(2) atom to form edge-sharing CoO4F2 octahedra. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third Co site, Co(3) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), and two equivalent Co(4) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(O3F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.806
_cell_length_b   4.806
_cell_length_c   8.943
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   101.287
_symmetry_Int_Tables_number   1
_cell_volume   202.563
_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  0.708  0.292  0.667  1.0
  Co  Co1  1  0.001  0.999  0.007  1.0
  Co  Co2  1  0.001  0.999  0.326  1.0
  Co  Co3  1  0.070  0.930  0.667  1.0
  Co  Co4  1  0.573  0.427  0.167  1.0
  Co  Co5  1  0.439  0.561  0.854  1.0
  Co  Co6  1  0.439  0.561  0.479  1.0
  O  O7  1  0.178  0.822  0.846  1.0
  O  O8  1  0.178  0.822  0.487  1.0
  O  O9  1  0.314  0.307  0.324  1.0
  O  O10  1  0.314  0.307  0.009  1.0
  O  O11  1  0.286  0.314  0.667  1.0
  O  O12  1  0.686  0.714  0.667  1.0
  O  O13  1  0.693  0.686  0.009  1.0
  O  O14  1  0.693  0.686  0.324  1.0
  O  O15  1  0.826  0.174  0.167  1.0
  F  F16  1  0.185  0.815  0.167  1.0
  F  F17  1  0.805  0.195  0.854  1.0
  F  F18  1  0.805  0.195  0.479  1.0
[/CIF]
.