The material structure described by MgCo5(P2O7)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(18), one O(2), one O(22), one O(26), one O(28), and one O(4) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(27), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  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(7)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(13), and one O(9) atom to form distorted CoO5 trigonal bipyramids 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(8)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(12), one O(17), one O(20), one O(24), one O(5), 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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(20), and one O(28) atom. In the fifth Co site, Co(5) is bonded to one O(19), one O(2), one O(21), and one O(22) atom to form CoO4 tetrahedra that share  a cornercorner with one P(2)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(11), one O(28), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 28°. In the second P site, P(2) is bonded to one O(13), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(19), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth P site, P(5) is bonded to one O(10), one O(14), one O(17), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the sixth P site, P(6) is bonded to one O(15), one O(20), one O(22), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the seventh P site, P(7) is bonded to one O(16), one O(23), one O(25), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra and  a cornercorner with one P(8)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(1), one O(18), one O(24), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 15°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(8) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Co(5), and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(7) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Co(5) and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Co(5) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(5), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Co(3) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one P(7) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in an L-shaped geometry to one Mg(1) and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Co(1) and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a T-shaped geometry to one Mg(1), one Co(4), and one P(1) atom. is represented by the CIF card [CIF]
data_MgCo5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.805
_cell_length_b   7.806
_cell_length_c   10.546
_cell_angle_alpha   109.273
_cell_angle_beta   87.050
_cell_angle_gamma   95.114
_symmetry_Int_Tables_number   1
_cell_volume   603.957
_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  0.888  0.207  0.172  1.0
  Co  Co1  1  0.268  0.864  0.599  1.0
  Co  Co2  1  0.240  0.837  0.067  1.0
  Co  Co3  1  0.499  0.508  0.997  1.0
  Co  Co4  1  0.742  0.169  0.918  1.0
  Co  Co5  1  0.723  0.143  0.408  1.0
  P  P6  1  0.184  0.216  0.031  1.0
  P  P7  1  0.164  0.183  0.317  1.0
  P  P8  1  0.300  0.566  0.757  1.0
  P  P9  1  0.467  0.758  0.311  1.0
  P  P10  1  0.520  0.251  0.691  1.0
  P  P11  1  0.666  0.430  0.241  1.0
  P  P12  1  0.857  0.809  0.693  1.0
  P  P13  1  0.844  0.790  0.974  1.0
  O  O14  1  0.005  0.769  0.046  1.0
  O  O15  1  0.963  0.140  0.326  1.0
  O  O16  1  0.127  0.466  0.743  1.0
  O  O17  1  0.163  0.281  0.195  1.0
  O  O18  1  0.293  0.364  0.994  1.0
  O  O19  1  0.250  0.309  0.436  1.0
  O  O20  1  0.330  0.715  0.689  1.0
  O  O21  1  0.318  0.793  0.414  1.0
  O  O22  1  0.357  0.656  0.908  1.0
  O  O23  1  0.372  0.103  0.660  1.0
  O  O24  1  0.261  0.031  0.984  1.0
  O  O25  1  0.404  0.704  0.163  1.0
  O  O26  1  0.247  0.003  0.244  1.0
  O  O27  1  0.453  0.437  0.690  1.0
  O  O28  1  0.535  0.572  0.321  1.0
  O  O29  1  0.747  0.970  0.748  1.0
  O  O30  1  0.584  0.294  0.836  1.0
  O  O31  1  0.773  0.978  0.035  1.0
  O  O32  1  0.618  0.898  0.339  1.0
  O  O33  1  0.615  0.359  0.088  1.0
  O  O34  1  0.671  0.214  0.593  1.0
  O  O35  1  0.639  0.259  0.287  1.0
  O  O36  1  0.774  0.644  0.589  1.0
  O  O37  1  0.706  0.640  0.979  1.0
  O  O38  1  0.907  0.757  0.824  1.0
  O  O39  1  0.854  0.490  0.250  1.0
  O  O40  1  0.032  0.868  0.637  1.0
  O  O41  1  0.997  0.214  0.991  1.0
[/CIF]
.
The material structure described by MgCo5(P2O7)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(18), one O(2), one O(22), one O(26), one O(28), and one O(4) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(27), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  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(7)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(13), and one O(9) atom to form distorted CoO5 trigonal bipyramids 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(8)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(12), one O(17), one O(20), one O(24), one O(5), 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(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(20), and one O(28) atom. In the fifth Co site, Co(5) is bonded to one O(19), one O(2), one O(21), and one O(22) atom to form CoO4 tetrahedra that share  a cornercorner with one P(2)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(11), one O(28), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 28°. In the second P site, P(2) is bonded to one O(13), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(19), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth P site, P(5) is bonded to one O(10), one O(14), one O(17), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the sixth P site, P(6) is bonded to one O(15), one O(20), one O(22), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the seventh P site, P(7) is bonded to one O(16), one O(23), one O(25), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra and  a cornercorner with one P(8)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(1), one O(18), one O(24), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 15°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(8) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Co(5), and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(7) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mg(1), one Co(4), and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Co(5) and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Co(5) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(5), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Co(3) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one P(7) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in an L-shaped geometry to one Mg(1) and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Co(1) and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a T-shaped geometry to one Mg(1), one Co(4), and one P(1) atom. is represented by the CIF card [CIF]
data_MgCo5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.805
_cell_length_b   7.806
_cell_length_c   10.546
_cell_angle_alpha   109.273
_cell_angle_beta   87.050
_cell_angle_gamma   95.114
_symmetry_Int_Tables_number   1
_cell_volume   603.957
_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  0.888  0.207  0.172  1.0
  Co  Co1  1  0.268  0.864  0.599  1.0
  Co  Co2  1  0.240  0.837  0.067  1.0
  Co  Co3  1  0.499  0.508  0.997  1.0
  Co  Co4  1  0.742  0.169  0.918  1.0
  Co  Co5  1  0.723  0.143  0.408  1.0
  P  P6  1  0.184  0.216  0.031  1.0
  P  P7  1  0.164  0.183  0.317  1.0
  P  P8  1  0.300  0.566  0.757  1.0
  P  P9  1  0.467  0.758  0.311  1.0
  P  P10  1  0.520  0.251  0.691  1.0
  P  P11  1  0.666  0.430  0.241  1.0
  P  P12  1  0.857  0.809  0.693  1.0
  P  P13  1  0.844  0.790  0.974  1.0
  O  O14  1  0.005  0.769  0.046  1.0
  O  O15  1  0.963  0.140  0.326  1.0
  O  O16  1  0.127  0.466  0.743  1.0
  O  O17  1  0.163  0.281  0.195  1.0
  O  O18  1  0.293  0.364  0.994  1.0
  O  O19  1  0.250  0.309  0.436  1.0
  O  O20  1  0.330  0.715  0.689  1.0
  O  O21  1  0.318  0.793  0.414  1.0
  O  O22  1  0.357  0.656  0.908  1.0
  O  O23  1  0.372  0.103  0.660  1.0
  O  O24  1  0.261  0.031  0.984  1.0
  O  O25  1  0.404  0.704  0.163  1.0
  O  O26  1  0.247  0.003  0.244  1.0
  O  O27  1  0.453  0.437  0.690  1.0
  O  O28  1  0.535  0.572  0.321  1.0
  O  O29  1  0.747  0.970  0.748  1.0
  O  O30  1  0.584  0.294  0.836  1.0
  O  O31  1  0.773  0.978  0.035  1.0
  O  O32  1  0.618  0.898  0.339  1.0
  O  O33  1  0.615  0.359  0.088  1.0
  O  O34  1  0.671  0.214  0.593  1.0
  O  O35  1  0.639  0.259  0.287  1.0
  O  O36  1  0.774  0.644  0.589  1.0
  O  O37  1  0.706  0.640  0.979  1.0
  O  O38  1  0.907  0.757  0.824  1.0
  O  O39  1  0.854  0.490  0.250  1.0
  O  O40  1  0.032  0.868  0.637  1.0
  O  O41  1  0.997  0.214  0.991  1.0
[/CIF]
.