The structure described by MgCo4(P2O7)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(25), one O(26), one O(6), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(17), one O(2), one O(25), one O(26), and one O(3) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(18), one O(24), one O(27), one O(28), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(10), one O(13), one O(16), one O(19), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(20), one O(23), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(14), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second P site, P(2) is bonded to one O(15), one O(23), one O(24), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the third P site, P(3) is bonded to one O(1), one O(19), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-48°. In the fourth P site, P(4) is bonded to one O(18), one O(22), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the fifth P site, P(5) is bonded to one O(27), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-41°. In the sixth P site, P(6) is bonded to one O(11), one O(15), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the seventh P site, P(7) is bonded to one O(16), one O(17), one O(28), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-50°. In the eighth P site, P(8) is bonded to one O(10), one O(2), one O(21), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one P(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one P(5), and one P(7) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(6) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(7) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(7) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one P(3) and one P(8) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Co(4) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(2) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Co(1), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(7) atom. is represented by the CIF card [CIF]
data_MgCo4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   8.221
_cell_length_c   9.568
_cell_angle_alpha   89.628
_cell_angle_beta   108.764
_cell_angle_gamma   89.799
_symmetry_Int_Tables_number   1
_cell_volume   524.175
_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  0.308  0.804  0.889  1.0
  Co  Co1  1  0.753  0.789  0.015  1.0
  Co  Co2  1  0.717  0.729  0.502  1.0
  Co  Co3  1  0.289  0.272  0.488  1.0
  Co  Co4  1  0.278  0.239  1.000  1.0
  P  P5  1  0.550  0.100  0.787  1.0
  P  P6  1  0.458  0.928  0.205  1.0
  P  P7  1  0.528  0.429  0.293  1.0
  P  P8  1  0.929  0.957  0.787  1.0
  P  P9  1  0.070  0.461  0.699  1.0
  P  P10  1  0.067  0.047  0.205  1.0
  P  P11  1  0.472  0.593  0.718  1.0
  P  P12  1  0.924  0.537  0.292  1.0
  O  O13  1  0.527  0.595  0.364  1.0
  O  O14  1  0.883  0.605  0.137  1.0
  O  O15  1  0.866  0.954  0.151  1.0
  O  O16  1  0.912  0.675  0.397  1.0
  O  O17  1  0.120  0.385  0.854  1.0
  O  O18  1  0.146  0.019  0.838  1.0
  O  O19  1  0.104  0.337  0.591  1.0
  O  O20  1  0.233  0.615  0.716  1.0
  O  O21  1  0.108  0.109  0.361  1.0
  O  O22  1  0.128  0.454  0.344  1.0
  O  O23  1  0.075  0.178  0.093  1.0
  O  O24  1  0.511  0.240  0.880  1.0
  O  O25  1  0.420  0.099  0.626  1.0
  O  O26  1  0.537  0.937  0.864  1.0
  O  O27  1  0.231  0.907  0.208  1.0
  O  O28  1  0.494  0.420  0.668  1.0
  O  O29  1  0.570  0.628  0.883  1.0
  O  O30  1  0.869  0.893  0.630  1.0
  O  O31  1  0.486  0.292  0.391  1.0
  O  O32  1  0.391  0.423  0.134  1.0
  O  O33  1  0.758  0.401  0.292  1.0
  O  O34  1  0.785  0.105  0.795  1.0
  O  O35  1  0.460  0.095  0.128  1.0
  O  O36  1  0.603  0.918  0.359  1.0
  O  O37  1  0.480  0.792  0.099  1.0
  O  O38  1  0.929  0.816  0.897  1.0
  O  O39  1  0.867  0.544  0.648  1.0
  O  O40  1  0.506  0.721  0.614  1.0
[/CIF]
.
The structure described by MgCo4(P2O7)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(25), one O(26), one O(6), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(17), one O(2), one O(25), one O(26), and one O(3) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(18), one O(24), one O(27), one O(28), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(10), one O(13), one O(16), one O(19), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(20), one O(23), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(14), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second P site, P(2) is bonded to one O(15), one O(23), one O(24), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the third P site, P(3) is bonded to one O(1), one O(19), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-48°. In the fourth P site, P(4) is bonded to one O(18), one O(22), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the fifth P site, P(5) is bonded to one O(27), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-41°. In the sixth P site, P(6) is bonded to one O(11), one O(15), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the seventh P site, P(7) is bonded to one O(16), one O(17), one O(28), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-50°. In the eighth P site, P(8) is bonded to one O(10), one O(2), one O(21), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one P(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one P(5), and one P(7) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(6) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(7) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(7) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one P(3) and one P(8) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Co(4) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one P(2) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Co(1), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(7) atom. is represented by the CIF card [CIF]
data_MgCo4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   8.221
_cell_length_c   9.568
_cell_angle_alpha   89.628
_cell_angle_beta   108.764
_cell_angle_gamma   89.799
_symmetry_Int_Tables_number   1
_cell_volume   524.175
_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  0.308  0.804  0.889  1.0
  Co  Co1  1  0.753  0.789  0.015  1.0
  Co  Co2  1  0.717  0.729  0.502  1.0
  Co  Co3  1  0.289  0.272  0.488  1.0
  Co  Co4  1  0.278  0.239  1.000  1.0
  P  P5  1  0.550  0.100  0.787  1.0
  P  P6  1  0.458  0.928  0.205  1.0
  P  P7  1  0.528  0.429  0.293  1.0
  P  P8  1  0.929  0.957  0.787  1.0
  P  P9  1  0.070  0.461  0.699  1.0
  P  P10  1  0.067  0.047  0.205  1.0
  P  P11  1  0.472  0.593  0.718  1.0
  P  P12  1  0.924  0.537  0.292  1.0
  O  O13  1  0.527  0.595  0.364  1.0
  O  O14  1  0.883  0.605  0.137  1.0
  O  O15  1  0.866  0.954  0.151  1.0
  O  O16  1  0.912  0.675  0.397  1.0
  O  O17  1  0.120  0.385  0.854  1.0
  O  O18  1  0.146  0.019  0.838  1.0
  O  O19  1  0.104  0.337  0.591  1.0
  O  O20  1  0.233  0.615  0.716  1.0
  O  O21  1  0.108  0.109  0.361  1.0
  O  O22  1  0.128  0.454  0.344  1.0
  O  O23  1  0.075  0.178  0.093  1.0
  O  O24  1  0.511  0.240  0.880  1.0
  O  O25  1  0.420  0.099  0.626  1.0
  O  O26  1  0.537  0.937  0.864  1.0
  O  O27  1  0.231  0.907  0.208  1.0
  O  O28  1  0.494  0.420  0.668  1.0
  O  O29  1  0.570  0.628  0.883  1.0
  O  O30  1  0.869  0.893  0.630  1.0
  O  O31  1  0.486  0.292  0.391  1.0
  O  O32  1  0.391  0.423  0.134  1.0
  O  O33  1  0.758  0.401  0.292  1.0
  O  O34  1  0.785  0.105  0.795  1.0
  O  O35  1  0.460  0.095  0.128  1.0
  O  O36  1  0.603  0.918  0.359  1.0
  O  O37  1  0.480  0.792  0.099  1.0
  O  O38  1  0.929  0.816  0.897  1.0
  O  O39  1  0.867  0.544  0.648  1.0
  O  O40  1  0.506  0.721  0.614  1.0
[/CIF]
.