The structure described by MgCoP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MgO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Mg(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-62°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one P(1) and one P(2) 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 distorted 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 distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted 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 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_MgCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.554
_cell_length_b   5.319
_cell_length_c   5.333
_cell_angle_alpha   76.002
_cell_angle_beta   81.736
_cell_angle_gamma   98.378
_symmetry_Int_Tables_number   1
_cell_volume   121.835
_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  0.732  0.288  0.903  1.0
  Co  Co1  1  0.726  0.909  0.529  1.0
  P  P2  1  0.135  0.822  0.997  1.0
  P  P3  1  0.322  0.384  0.431  1.0
  O  O4  1  0.228  0.607  0.219  1.0
  O  O5  1  0.441  0.982  0.837  1.0
  O  O6  1  0.017  0.222  0.594  1.0
  O  O7  1  0.951  0.985  0.138  1.0
  O  O8  1  0.506  0.228  0.283  1.0
  O  O9  1  0.507  0.525  0.594  1.0
  O  O10  1  0.949  0.672  0.842  1.0
[/CIF]
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The structure described by MgCoP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MgO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Mg(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-62°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one P(1) and one P(2) 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 distorted 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 distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted 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 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_MgCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.554
_cell_length_b   5.319
_cell_length_c   5.333
_cell_angle_alpha   76.002
_cell_angle_beta   81.736
_cell_angle_gamma   98.378
_symmetry_Int_Tables_number   1
_cell_volume   121.835
_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  0.732  0.288  0.903  1.0
  Co  Co1  1  0.726  0.909  0.529  1.0
  P  P2  1  0.135  0.822  0.997  1.0
  P  P3  1  0.322  0.384  0.431  1.0
  O  O4  1  0.228  0.607  0.219  1.0
  O  O5  1  0.441  0.982  0.837  1.0
  O  O6  1  0.017  0.222  0.594  1.0
  O  O7  1  0.951  0.985  0.138  1.0
  O  O8  1  0.506  0.228  0.283  1.0
  O  O9  1  0.507  0.525  0.594  1.0
  O  O10  1  0.949  0.672  0.842  1.0
[/CIF]
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