The material described by MgCo2(PO4)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Co(3)O4 trigonal pyramid. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the third Co site, Co(3) is bonded to two equivalent O(5) and two equivalent O(7) atoms to form distorted CoO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O5 trigonal bipyramids and  a cornercorner with one Co(3)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O5 trigonal bipyramids and  a cornercorner with one Co(3)O4 trigonal pyramid. 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(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(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   8.798
_cell_length_b   8.798
_cell_length_c   16.477
_cell_angle_alpha   60.885
_cell_angle_beta   60.885
_cell_angle_gamma   33.582
_symmetry_Int_Tables_number   1
_cell_volume   607.604
_cell_formula_units_Z   4
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  0.733  0.819  0.124  1.0
  Mg  Mg1  1  0.181  0.267  0.376  1.0
  Mg  Mg2  1  0.819  0.733  0.624  1.0
  Mg  Mg3  1  0.267  0.181  0.876  1.0
  Co  Co4  1  0.569  0.671  0.035  1.0
  Co  Co5  1  0.329  0.431  0.465  1.0
  Co  Co6  1  0.431  0.329  0.965  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  Co  Co8  1  0.671  0.569  0.535  1.0
  Co  Co9  1  0.693  0.307  0.750  1.0
  Co  Co10  1  0.307  0.693  0.250  1.0
  Co  Co11  1  0.000  0.000  0.500  1.0
  P  P12  1  0.367  0.427  0.143  1.0
  P  P13  1  0.788  0.888  0.390  1.0
  P  P14  1  0.633  0.573  0.857  1.0
  P  P15  1  0.888  0.788  0.890  1.0
  P  P16  1  0.427  0.367  0.643  1.0
  P  P17  1  0.573  0.633  0.357  1.0
  P  P18  1  0.212  0.112  0.610  1.0
  P  P19  1  0.112  0.212  0.110  1.0
  O  O20  1  0.907  0.312  0.899  1.0
  O  O21  1  0.345  0.162  0.082  1.0
  O  O22  1  0.312  0.907  0.399  1.0
  O  O23  1  0.900  0.841  0.461  1.0
  O  O24  1  0.400  0.772  0.933  1.0
  O  O25  1  0.940  0.872  0.290  1.0
  O  O26  1  0.159  0.100  0.039  1.0
  O  O27  1  0.176  0.468  0.899  1.0
  O  O28  1  0.100  0.159  0.539  1.0
  O  O29  1  0.838  0.655  0.418  1.0
  O  O30  1  0.535  0.486  0.853  1.0
  O  O31  1  0.285  0.338  0.737  1.0
  O  O32  1  0.655  0.838  0.918  1.0
  O  O33  1  0.468  0.176  0.399  1.0
  O  O34  1  0.093  0.688  0.101  1.0
  O  O35  1  0.465  0.514  0.147  1.0
  O  O36  1  0.338  0.285  0.237  1.0
  O  O37  1  0.841  0.900  0.961  1.0
  O  O38  1  0.486  0.535  0.353  1.0
  O  O39  1  0.715  0.662  0.263  1.0
  O  O40  1  0.532  0.824  0.601  1.0
  O  O41  1  0.772  0.400  0.433  1.0
  O  O42  1  0.824  0.532  0.101  1.0
  O  O43  1  0.872  0.940  0.790  1.0
  O  O44  1  0.162  0.345  0.582  1.0
  O  O45  1  0.688  0.093  0.601  1.0
  O  O46  1  0.662  0.715  0.763  1.0
  O  O47  1  0.228  0.600  0.567  1.0
  O  O48  1  0.600  0.228  0.067  1.0
  O  O49  1  0.128  0.060  0.210  1.0
  O  O50  1  0.060  0.128  0.710  1.0
  O  O51  1  0.514  0.465  0.647  1.0
[/CIF]
.
The material described by MgCo2(PO4)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Co(3)O4 trigonal pyramid. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the third Co site, Co(3) is bonded to two equivalent O(5) and two equivalent O(7) atoms to form distorted CoO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O5 trigonal bipyramids and  a cornercorner with one Co(3)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O5 trigonal bipyramids and  a cornercorner with one Co(3)O4 trigonal pyramid. 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(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(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   8.798
_cell_length_b   8.798
_cell_length_c   16.477
_cell_angle_alpha   60.885
_cell_angle_beta   60.885
_cell_angle_gamma   33.582
_symmetry_Int_Tables_number   1
_cell_volume   607.604
_cell_formula_units_Z   4
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  0.733  0.819  0.124  1.0
  Mg  Mg1  1  0.181  0.267  0.376  1.0
  Mg  Mg2  1  0.819  0.733  0.624  1.0
  Mg  Mg3  1  0.267  0.181  0.876  1.0
  Co  Co4  1  0.569  0.671  0.035  1.0
  Co  Co5  1  0.329  0.431  0.465  1.0
  Co  Co6  1  0.431  0.329  0.965  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  Co  Co8  1  0.671  0.569  0.535  1.0
  Co  Co9  1  0.693  0.307  0.750  1.0
  Co  Co10  1  0.307  0.693  0.250  1.0
  Co  Co11  1  0.000  0.000  0.500  1.0
  P  P12  1  0.367  0.427  0.143  1.0
  P  P13  1  0.788  0.888  0.390  1.0
  P  P14  1  0.633  0.573  0.857  1.0
  P  P15  1  0.888  0.788  0.890  1.0
  P  P16  1  0.427  0.367  0.643  1.0
  P  P17  1  0.573  0.633  0.357  1.0
  P  P18  1  0.212  0.112  0.610  1.0
  P  P19  1  0.112  0.212  0.110  1.0
  O  O20  1  0.907  0.312  0.899  1.0
  O  O21  1  0.345  0.162  0.082  1.0
  O  O22  1  0.312  0.907  0.399  1.0
  O  O23  1  0.900  0.841  0.461  1.0
  O  O24  1  0.400  0.772  0.933  1.0
  O  O25  1  0.940  0.872  0.290  1.0
  O  O26  1  0.159  0.100  0.039  1.0
  O  O27  1  0.176  0.468  0.899  1.0
  O  O28  1  0.100  0.159  0.539  1.0
  O  O29  1  0.838  0.655  0.418  1.0
  O  O30  1  0.535  0.486  0.853  1.0
  O  O31  1  0.285  0.338  0.737  1.0
  O  O32  1  0.655  0.838  0.918  1.0
  O  O33  1  0.468  0.176  0.399  1.0
  O  O34  1  0.093  0.688  0.101  1.0
  O  O35  1  0.465  0.514  0.147  1.0
  O  O36  1  0.338  0.285  0.237  1.0
  O  O37  1  0.841  0.900  0.961  1.0
  O  O38  1  0.486  0.535  0.353  1.0
  O  O39  1  0.715  0.662  0.263  1.0
  O  O40  1  0.532  0.824  0.601  1.0
  O  O41  1  0.772  0.400  0.433  1.0
  O  O42  1  0.824  0.532  0.101  1.0
  O  O43  1  0.872  0.940  0.790  1.0
  O  O44  1  0.162  0.345  0.582  1.0
  O  O45  1  0.688  0.093  0.601  1.0
  O  O46  1  0.662  0.715  0.763  1.0
  O  O47  1  0.228  0.600  0.567  1.0
  O  O48  1  0.600  0.228  0.067  1.0
  O  O49  1  0.128  0.060  0.210  1.0
  O  O50  1  0.060  0.128  0.710  1.0
  O  O51  1  0.514  0.465  0.647  1.0
[/CIF]
.