The material structure described by MgCo2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one F(1) atom to form distorted MgO4F trigonal bipyramids that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-46°. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-46°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(2)O4F2 octahedra, and  a cornercorner with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-45°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar 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(1) and one Co(2) atom. is represented by the CIF file [CIF]
data_MgCo2P2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   5.358
_cell_length_c   7.393
_cell_angle_alpha   108.642
_cell_angle_beta   107.608
_cell_angle_gamma   97.036
_symmetry_Int_Tables_number   1
_cell_volume   182.312
_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  0.017  0.673  0.284  1.0
  Co  Co1  1  0.994  0.002  0.985  1.0
  Co  Co2  1  0.520  0.496  0.514  1.0
  P  P3  1  0.414  0.096  0.744  1.0
  P  P4  1  0.584  0.911  0.256  1.0
  O  O5  1  0.267  0.814  0.153  1.0
  O  O6  1  0.751  0.851  0.111  1.0
  O  O7  1  0.664  0.221  0.380  1.0
  O  O8  1  0.698  0.743  0.388  1.0
  O  O9  1  0.250  0.114  0.888  1.0
  O  O10  1  0.326  0.798  0.579  1.0
  O  O11  1  0.332  0.282  0.626  1.0
  O  O12  1  0.721  0.184  0.880  1.0
  F  F13  1  0.148  0.345  0.252  1.0
  F  F14  1  0.841  0.656  0.756  1.0
[/CIF]
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The material structure described by MgCo2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one F(1) atom to form distorted MgO4F trigonal bipyramids that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-46°. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-46°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(2)O4F2 octahedra, and  a cornercorner with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-45°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar 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(1) and one Co(2) atom. is represented by the CIF file [CIF]
data_MgCo2P2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   5.358
_cell_length_c   7.393
_cell_angle_alpha   108.642
_cell_angle_beta   107.608
_cell_angle_gamma   97.036
_symmetry_Int_Tables_number   1
_cell_volume   182.312
_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  0.017  0.673  0.284  1.0
  Co  Co1  1  0.994  0.002  0.985  1.0
  Co  Co2  1  0.520  0.496  0.514  1.0
  P  P3  1  0.414  0.096  0.744  1.0
  P  P4  1  0.584  0.911  0.256  1.0
  O  O5  1  0.267  0.814  0.153  1.0
  O  O6  1  0.751  0.851  0.111  1.0
  O  O7  1  0.664  0.221  0.380  1.0
  O  O8  1  0.698  0.743  0.388  1.0
  O  O9  1  0.250  0.114  0.888  1.0
  O  O10  1  0.326  0.798  0.579  1.0
  O  O11  1  0.332  0.282  0.626  1.0
  O  O12  1  0.721  0.184  0.880  1.0
  F  F13  1  0.148  0.345  0.252  1.0
  F  F14  1  0.841  0.656  0.756  1.0
[/CIF]
.