The material structure described by MgCoP2O7 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form CoO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two 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(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to 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(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one P(2) 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 bent 150 degrees geometry to one P(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(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.623
_cell_length_b   6.365
_cell_length_c   7.379
_cell_angle_alpha   83.139
_cell_angle_beta   87.165
_cell_angle_gamma   71.978
_symmetry_Int_Tables_number   1
_cell_volume   249.326
_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
  Co  Co0  1  0.250  0.161  0.211  1.0
  Co  Co1  1  0.750  0.838  0.790  1.0
  Mg  Mg2  1  0.334  0.658  0.657  1.0
  Mg  Mg3  1  0.666  0.342  0.343  1.0
  O  O4  1  0.111  0.692  0.898  1.0
  O  O5  1  0.889  0.308  0.102  1.0
  O  O6  1  0.297  0.865  0.130  1.0
  O  O7  1  0.703  0.135  0.870  1.0
  O  O8  1  0.352  0.447  0.168  1.0
  O  O9  1  0.647  0.553  0.832  1.0
  O  O10  1  0.614  0.643  0.433  1.0
  O  O11  1  0.386  0.357  0.567  1.0
  O  O12  1  0.051  0.216  0.454  1.0
  O  O13  1  0.949  0.785  0.546  1.0
  O  O14  1  0.072  0.286  0.790  1.0
  O  O15  1  0.928  0.714  0.210  1.0
  O  O16  1  0.617  0.041  0.330  1.0
  O  O17  1  0.383  0.959  0.670  1.0
  P  P18  1  0.187  0.684  0.096  1.0
  P  P19  1  0.813  0.316  0.904  1.0
  P  P20  1  0.228  0.200  0.613  1.0
  P  P21  1  0.772  0.800  0.387  1.0
[/CIF]
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The material structure described by MgCoP2O7 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form CoO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two 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(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to 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(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one P(2) 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 bent 150 degrees geometry to one P(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(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.623
_cell_length_b   6.365
_cell_length_c   7.379
_cell_angle_alpha   83.139
_cell_angle_beta   87.165
_cell_angle_gamma   71.978
_symmetry_Int_Tables_number   1
_cell_volume   249.326
_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
  Co  Co0  1  0.250  0.161  0.211  1.0
  Co  Co1  1  0.750  0.838  0.790  1.0
  Mg  Mg2  1  0.334  0.658  0.657  1.0
  Mg  Mg3  1  0.666  0.342  0.343  1.0
  O  O4  1  0.111  0.692  0.898  1.0
  O  O5  1  0.889  0.308  0.102  1.0
  O  O6  1  0.297  0.865  0.130  1.0
  O  O7  1  0.703  0.135  0.870  1.0
  O  O8  1  0.352  0.447  0.168  1.0
  O  O9  1  0.647  0.553  0.832  1.0
  O  O10  1  0.614  0.643  0.433  1.0
  O  O11  1  0.386  0.357  0.567  1.0
  O  O12  1  0.051  0.216  0.454  1.0
  O  O13  1  0.949  0.785  0.546  1.0
  O  O14  1  0.072  0.286  0.790  1.0
  O  O15  1  0.928  0.714  0.210  1.0
  O  O16  1  0.617  0.041  0.330  1.0
  O  O17  1  0.383  0.959  0.670  1.0
  P  P18  1  0.187  0.684  0.096  1.0
  P  P19  1  0.813  0.316  0.904  1.0
  P  P20  1  0.228  0.200  0.613  1.0
  P  P21  1  0.772  0.800  0.387  1.0
[/CIF]
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