The material structure described by MgCo2(PO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form MgO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra, and corners with three equivalent Co(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, and corners with three equivalent Co(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(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(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(1), one Co(2), and one P(2) atom. is represented by the CIF card [CIF]
data_MgCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.985
_cell_length_b   8.485
_cell_length_c   5.069
_cell_angle_alpha   76.744
_cell_angle_beta   61.505
_cell_angle_gamma   74.158
_symmetry_Int_Tables_number   1
_cell_volume   180.028
_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  0.932  0.006  0.054  1.0
  Co  Co1  1  0.185  0.272  0.307  1.0
  Co  Co2  1  0.830  0.724  0.683  1.0
  P  P3  1  0.180  0.627  0.047  1.0
  P  P4  1  0.583  0.125  0.690  1.0
  O  O5  1  0.029  0.781  0.239  1.0
  O  O6  1  0.286  0.481  0.245  1.0
  O  O7  1  0.247  0.150  0.960  1.0
  O  O8  1  0.548  0.110  0.405  1.0
  O  O9  1  0.438  0.687  0.748  1.0
  O  O10  1  0.756  0.261  0.638  1.0
  O  O11  1  0.942  0.581  0.982  1.0
  O  O12  1  0.779  0.961  0.776  1.0
[/CIF]
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The material structure described by MgCo2(PO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form MgO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra, and corners with three equivalent Co(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, and corners with three equivalent Co(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(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(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(1), one Co(2), and one P(2) atom. is represented by the CIF card [CIF]
data_MgCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.985
_cell_length_b   8.485
_cell_length_c   5.069
_cell_angle_alpha   76.744
_cell_angle_beta   61.505
_cell_angle_gamma   74.158
_symmetry_Int_Tables_number   1
_cell_volume   180.028
_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  0.932  0.006  0.054  1.0
  Co  Co1  1  0.185  0.272  0.307  1.0
  Co  Co2  1  0.830  0.724  0.683  1.0
  P  P3  1  0.180  0.627  0.047  1.0
  P  P4  1  0.583  0.125  0.690  1.0
  O  O5  1  0.029  0.781  0.239  1.0
  O  O6  1  0.286  0.481  0.245  1.0
  O  O7  1  0.247  0.150  0.960  1.0
  O  O8  1  0.548  0.110  0.405  1.0
  O  O9  1  0.438  0.687  0.748  1.0
  O  O10  1  0.756  0.261  0.638  1.0
  O  O11  1  0.942  0.581  0.982  1.0
  O  O12  1  0.779  0.961  0.776  1.0
[/CIF]
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