The crystal structure described by MgCo2(PO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.970
_cell_length_b   4.971
_cell_length_c   6.534
_cell_angle_alpha   93.501
_cell_angle_beta   93.495
_cell_angle_gamma   67.800
_symmetry_Int_Tables_number   1
_cell_volume   149.054
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  P  P3  1  0.666  0.666  0.715  1.0
  P  P4  1  0.334  0.334  0.285  1.0
  O  O5  1  0.322  0.768  0.744  1.0
  O  O6  1  0.755  0.755  0.525  1.0
  O  O7  1  0.678  0.232  0.256  1.0
  O  O8  1  0.232  0.232  0.073  1.0
  O  O9  1  0.245  0.245  0.475  1.0
  O  O10  1  0.768  0.768  0.927  1.0
  O  O11  1  0.768  0.322  0.744  1.0
  O  O12  1  0.232  0.678  0.256  1.0
[/CIF]
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The crystal structure described by MgCo2(PO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.970
_cell_length_b   4.971
_cell_length_c   6.534
_cell_angle_alpha   93.501
_cell_angle_beta   93.495
_cell_angle_gamma   67.800
_symmetry_Int_Tables_number   1
_cell_volume   149.054
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  P  P3  1  0.666  0.666  0.715  1.0
  P  P4  1  0.334  0.334  0.285  1.0
  O  O5  1  0.322  0.768  0.744  1.0
  O  O6  1  0.755  0.755  0.525  1.0
  O  O7  1  0.678  0.232  0.256  1.0
  O  O8  1  0.232  0.232  0.073  1.0
  O  O9  1  0.245  0.245  0.475  1.0
  O  O10  1  0.768  0.768  0.927  1.0
  O  O11  1  0.768  0.322  0.744  1.0
  O  O12  1  0.232  0.678  0.256  1.0
[/CIF]
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