The compound described by MgCo2(PO5)2 crystallizes in the orthorhombic Fddd space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgCo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.859
_cell_length_b   8.923
_cell_length_c   6.525
_cell_angle_alpha   77.610
_cell_angle_beta   62.118
_cell_angle_gamma   40.272
_symmetry_Int_Tables_number   1
_cell_volume   317.663
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.625  0.625  0.125  1.0
  Co  Co3  1  0.625  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.625  1.0
  Co  Co5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.964  0.333  0.012  1.0
  O  O11  1  0.417  0.417  0.583  1.0
  O  O12  1  0.905  0.070  0.367  1.0
  O  O13  1  0.238  0.559  0.286  1.0
  O  O14  1  0.333  0.964  0.691  1.0
  O  O15  1  0.345  0.180  0.883  1.0
  O  O16  1  0.833  0.833  0.667  1.0
  O  O17  1  0.583  0.583  0.417  1.0
  O  O18  1  0.667  0.667  0.833  1.0
  O  O19  1  0.286  0.917  0.238  1.0
  O  O20  1  0.691  0.012  0.333  1.0
  O  O21  1  0.559  0.238  0.917  1.0
  O  O22  1  0.012  0.691  0.964  1.0
  O  O23  1  0.070  0.905  0.658  1.0
  O  O24  1  0.592  0.883  0.180  1.0
  O  O25  1  0.367  0.658  0.905  1.0
  O  O26  1  0.883  0.592  0.345  1.0
  O  O27  1  0.658  0.367  0.070  1.0
  O  O28  1  0.917  0.286  0.559  1.0
  O  O29  1  0.180  0.345  0.592  1.0
[/CIF]
.
The compound described by MgCo2(PO5)2 crystallizes in the orthorhombic Fddd space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_MgCo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.859
_cell_length_b   8.923
_cell_length_c   6.525
_cell_angle_alpha   77.610
_cell_angle_beta   62.118
_cell_angle_gamma   40.272
_symmetry_Int_Tables_number   1
_cell_volume   317.663
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.625  0.625  0.125  1.0
  Co  Co3  1  0.625  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.625  1.0
  Co  Co5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.964  0.333  0.012  1.0
  O  O11  1  0.417  0.417  0.583  1.0
  O  O12  1  0.905  0.070  0.367  1.0
  O  O13  1  0.238  0.559  0.286  1.0
  O  O14  1  0.333  0.964  0.691  1.0
  O  O15  1  0.345  0.180  0.883  1.0
  O  O16  1  0.833  0.833  0.667  1.0
  O  O17  1  0.583  0.583  0.417  1.0
  O  O18  1  0.667  0.667  0.833  1.0
  O  O19  1  0.286  0.917  0.238  1.0
  O  O20  1  0.691  0.012  0.333  1.0
  O  O21  1  0.559  0.238  0.917  1.0
  O  O22  1  0.012  0.691  0.964  1.0
  O  O23  1  0.070  0.905  0.658  1.0
  O  O24  1  0.592  0.883  0.180  1.0
  O  O25  1  0.367  0.658  0.905  1.0
  O  O26  1  0.883  0.592  0.345  1.0
  O  O27  1  0.658  0.367  0.070  1.0
  O  O28  1  0.917  0.286  0.559  1.0
  O  O29  1  0.180  0.345  0.592  1.0
[/CIF]
.