The material structure described by MgCo2(PO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) 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(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) 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   4.924
_cell_length_b   4.924
_cell_length_c   6.385
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   67.706
_symmetry_Int_Tables_number   1
_cell_volume   143.234
_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  0.679  0.679  0.250  1.0
  Co  Co1  1  0.006  0.006  0.984  1.0
  Co  Co2  1  0.006  0.006  0.516  1.0
  P  P3  1  0.645  0.645  0.750  1.0
  P  P4  1  0.346  0.346  0.250  1.0
  O  O5  1  0.305  0.772  0.750  1.0
  O  O6  1  0.754  0.754  0.549  1.0
  O  O7  1  0.696  0.242  0.250  1.0
  O  O8  1  0.244  0.244  0.052  1.0
  O  O9  1  0.244  0.244  0.448  1.0
  O  O10  1  0.754  0.754  0.951  1.0
  O  O11  1  0.772  0.305  0.750  1.0
  O  O12  1  0.242  0.696  0.250  1.0
[/CIF]
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The material structure described by MgCo2(PO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) 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(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) 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   4.924
_cell_length_b   4.924
_cell_length_c   6.385
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   67.706
_symmetry_Int_Tables_number   1
_cell_volume   143.234
_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  0.679  0.679  0.250  1.0
  Co  Co1  1  0.006  0.006  0.984  1.0
  Co  Co2  1  0.006  0.006  0.516  1.0
  P  P3  1  0.645  0.645  0.750  1.0
  P  P4  1  0.346  0.346  0.250  1.0
  O  O5  1  0.305  0.772  0.750  1.0
  O  O6  1  0.754  0.754  0.549  1.0
  O  O7  1  0.696  0.242  0.250  1.0
  O  O8  1  0.244  0.244  0.052  1.0
  O  O9  1  0.244  0.244  0.448  1.0
  O  O10  1  0.754  0.754  0.951  1.0
  O  O11  1  0.772  0.305  0.750  1.0
  O  O12  1  0.242  0.696  0.250  1.0
[/CIF]
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