The structure described by Mn3Zn(P2O7)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Zn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-69°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Zn(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Mn3Zn(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.542
_cell_length_b   7.530
_cell_length_c   9.902
_cell_angle_alpha   66.566
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.939
_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
  Mn  Mn0  1  0.121  0.808  0.525  1.0
  Mn  Mn1  1  0.621  0.192  0.975  1.0
  Mn  Mn2  1  0.879  0.192  0.475  1.0
  Mn  Mn3  1  0.379  0.808  0.025  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Zn  Zn6  1  0.000  0.500  0.000  1.0
  Zn  Zn7  1  0.500  0.500  0.500  1.0
  P  P8  1  0.911  0.408  0.702  1.0
  P  P9  1  0.411  0.592  0.798  1.0
  P  P10  1  0.089  0.592  0.298  1.0
  P  P11  1  0.589  0.408  0.202  1.0
  P  P12  1  0.211  0.149  0.683  1.0
  P  P13  1  0.711  0.851  0.817  1.0
  P  P14  1  0.789  0.851  0.317  1.0
  P  P15  1  0.289  0.149  0.183  1.0
  O  O16  1  0.386  0.223  0.599  1.0
  O  O17  1  0.886  0.777  0.901  1.0
  O  O18  1  0.614  0.777  0.401  1.0
  O  O19  1  0.114  0.223  0.099  1.0
  O  O20  1  0.378  0.724  0.633  1.0
  O  O21  1  0.878  0.276  0.867  1.0
  O  O22  1  0.622  0.276  0.367  1.0
  O  O23  1  0.122  0.724  0.133  1.0
  O  O24  1  0.773  0.377  0.600  1.0
  O  O25  1  0.273  0.623  0.900  1.0
  O  O26  1  0.227  0.623  0.400  1.0
  O  O27  1  0.727  0.377  0.100  1.0
  O  O28  1  0.101  0.341  0.660  1.0
  O  O29  1  0.601  0.659  0.840  1.0
  O  O30  1  0.899  0.659  0.340  1.0
  O  O31  1  0.399  0.341  0.160  1.0
  O  O32  1  0.551  0.613  0.184  1.0
  O  O33  1  0.051  0.387  0.316  1.0
  O  O34  1  0.449  0.387  0.816  1.0
  O  O35  1  0.949  0.613  0.684  1.0
  O  O36  1  0.779  0.966  0.151  1.0
  O  O37  1  0.279  0.034  0.349  1.0
  O  O38  1  0.221  0.034  0.849  1.0
  O  O39  1  0.721  0.966  0.651  1.0
  O  O40  1  0.397  0.040  0.108  1.0
  O  O41  1  0.897  0.960  0.392  1.0
  O  O42  1  0.603  0.960  0.892  1.0
  O  O43  1  0.103  0.040  0.608  1.0
[/CIF]
.
The structure described by Mn3Zn(P2O7)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Zn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-69°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Zn(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Mn3Zn(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.542
_cell_length_b   7.530
_cell_length_c   9.902
_cell_angle_alpha   66.566
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.939
_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
  Mn  Mn0  1  0.121  0.808  0.525  1.0
  Mn  Mn1  1  0.621  0.192  0.975  1.0
  Mn  Mn2  1  0.879  0.192  0.475  1.0
  Mn  Mn3  1  0.379  0.808  0.025  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Zn  Zn6  1  0.000  0.500  0.000  1.0
  Zn  Zn7  1  0.500  0.500  0.500  1.0
  P  P8  1  0.911  0.408  0.702  1.0
  P  P9  1  0.411  0.592  0.798  1.0
  P  P10  1  0.089  0.592  0.298  1.0
  P  P11  1  0.589  0.408  0.202  1.0
  P  P12  1  0.211  0.149  0.683  1.0
  P  P13  1  0.711  0.851  0.817  1.0
  P  P14  1  0.789  0.851  0.317  1.0
  P  P15  1  0.289  0.149  0.183  1.0
  O  O16  1  0.386  0.223  0.599  1.0
  O  O17  1  0.886  0.777  0.901  1.0
  O  O18  1  0.614  0.777  0.401  1.0
  O  O19  1  0.114  0.223  0.099  1.0
  O  O20  1  0.378  0.724  0.633  1.0
  O  O21  1  0.878  0.276  0.867  1.0
  O  O22  1  0.622  0.276  0.367  1.0
  O  O23  1  0.122  0.724  0.133  1.0
  O  O24  1  0.773  0.377  0.600  1.0
  O  O25  1  0.273  0.623  0.900  1.0
  O  O26  1  0.227  0.623  0.400  1.0
  O  O27  1  0.727  0.377  0.100  1.0
  O  O28  1  0.101  0.341  0.660  1.0
  O  O29  1  0.601  0.659  0.840  1.0
  O  O30  1  0.899  0.659  0.340  1.0
  O  O31  1  0.399  0.341  0.160  1.0
  O  O32  1  0.551  0.613  0.184  1.0
  O  O33  1  0.051  0.387  0.316  1.0
  O  O34  1  0.449  0.387  0.816  1.0
  O  O35  1  0.949  0.613  0.684  1.0
  O  O36  1  0.779  0.966  0.151  1.0
  O  O37  1  0.279  0.034  0.349  1.0
  O  O38  1  0.221  0.034  0.849  1.0
  O  O39  1  0.721  0.966  0.651  1.0
  O  O40  1  0.397  0.040  0.108  1.0
  O  O41  1  0.897  0.960  0.392  1.0
  O  O42  1  0.603  0.960  0.892  1.0
  O  O43  1  0.103  0.040  0.608  1.0
[/CIF]
.