The structure described by CaMnP2O7 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CaO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) 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 edges with two equivalent Ca(1)O5 trigonal bipyramids. 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 Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Ca(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-53°. 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 Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Ca(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-45°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CaMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.978
_cell_length_b   7.461
_cell_length_c   9.344
_cell_angle_alpha   64.425
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.521
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.947  0.713  0.152  1.0
  Ca  Ca1  1  0.447  0.287  0.348  1.0
  Ca  Ca2  1  0.553  0.713  0.652  1.0
  Ca  Ca3  1  0.053  0.287  0.848  1.0
  Mn  Mn4  1  0.069  0.228  0.386  1.0
  Mn  Mn5  1  0.931  0.772  0.614  1.0
  Mn  Mn6  1  0.569  0.772  0.114  1.0
  Mn  Mn7  1  0.431  0.228  0.886  1.0
  P  P8  1  0.728  0.058  0.759  1.0
  P  P9  1  0.239  0.535  0.030  1.0
  P  P10  1  0.772  0.058  0.259  1.0
  P  P11  1  0.261  0.535  0.530  1.0
  P  P12  1  0.228  0.942  0.741  1.0
  P  P13  1  0.739  0.465  0.470  1.0
  P  P14  1  0.761  0.465  0.970  1.0
  P  P15  1  0.272  0.942  0.241  1.0
  O  O16  1  0.176  0.743  0.896  1.0
  O  O17  1  0.627  0.095  0.324  1.0
  O  O18  1  0.873  0.095  0.824  1.0
  O  O19  1  0.386  0.568  0.099  1.0
  O  O20  1  0.824  0.257  0.104  1.0
  O  O21  1  0.095  0.980  0.626  1.0
  O  O22  1  0.614  0.432  0.901  1.0
  O  O23  1  0.110  0.476  0.150  1.0
  O  O24  1  0.245  0.393  0.452  1.0
  O  O25  1  0.905  0.020  0.374  1.0
  O  O26  1  0.405  0.980  0.126  1.0
  O  O27  1  0.761  0.899  0.196  1.0
  O  O28  1  0.261  0.101  0.304  1.0
  O  O29  1  0.324  0.743  0.396  1.0
  O  O30  1  0.595  0.020  0.874  1.0
  O  O31  1  0.127  0.905  0.176  1.0
  O  O32  1  0.239  0.101  0.804  1.0
  O  O33  1  0.890  0.524  0.850  1.0
  O  O34  1  0.255  0.393  0.952  1.0
  O  O35  1  0.745  0.607  0.048  1.0
  O  O36  1  0.886  0.432  0.401  1.0
  O  O37  1  0.390  0.476  0.650  1.0
  O  O38  1  0.610  0.524  0.350  1.0
  O  O39  1  0.373  0.905  0.676  1.0
  O  O40  1  0.739  0.899  0.696  1.0
  O  O41  1  0.114  0.568  0.599  1.0
  O  O42  1  0.755  0.607  0.548  1.0
  O  O43  1  0.676  0.257  0.604  1.0
[/CIF]
.
The structure described by CaMnP2O7 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CaO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) 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 edges with two equivalent Ca(1)O5 trigonal bipyramids. 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 Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Ca(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-53°. 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 Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Ca(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-45°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CaMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.978
_cell_length_b   7.461
_cell_length_c   9.344
_cell_angle_alpha   64.425
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.521
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.947  0.713  0.152  1.0
  Ca  Ca1  1  0.447  0.287  0.348  1.0
  Ca  Ca2  1  0.553  0.713  0.652  1.0
  Ca  Ca3  1  0.053  0.287  0.848  1.0
  Mn  Mn4  1  0.069  0.228  0.386  1.0
  Mn  Mn5  1  0.931  0.772  0.614  1.0
  Mn  Mn6  1  0.569  0.772  0.114  1.0
  Mn  Mn7  1  0.431  0.228  0.886  1.0
  P  P8  1  0.728  0.058  0.759  1.0
  P  P9  1  0.239  0.535  0.030  1.0
  P  P10  1  0.772  0.058  0.259  1.0
  P  P11  1  0.261  0.535  0.530  1.0
  P  P12  1  0.228  0.942  0.741  1.0
  P  P13  1  0.739  0.465  0.470  1.0
  P  P14  1  0.761  0.465  0.970  1.0
  P  P15  1  0.272  0.942  0.241  1.0
  O  O16  1  0.176  0.743  0.896  1.0
  O  O17  1  0.627  0.095  0.324  1.0
  O  O18  1  0.873  0.095  0.824  1.0
  O  O19  1  0.386  0.568  0.099  1.0
  O  O20  1  0.824  0.257  0.104  1.0
  O  O21  1  0.095  0.980  0.626  1.0
  O  O22  1  0.614  0.432  0.901  1.0
  O  O23  1  0.110  0.476  0.150  1.0
  O  O24  1  0.245  0.393  0.452  1.0
  O  O25  1  0.905  0.020  0.374  1.0
  O  O26  1  0.405  0.980  0.126  1.0
  O  O27  1  0.761  0.899  0.196  1.0
  O  O28  1  0.261  0.101  0.304  1.0
  O  O29  1  0.324  0.743  0.396  1.0
  O  O30  1  0.595  0.020  0.874  1.0
  O  O31  1  0.127  0.905  0.176  1.0
  O  O32  1  0.239  0.101  0.804  1.0
  O  O33  1  0.890  0.524  0.850  1.0
  O  O34  1  0.255  0.393  0.952  1.0
  O  O35  1  0.745  0.607  0.048  1.0
  O  O36  1  0.886  0.432  0.401  1.0
  O  O37  1  0.390  0.476  0.650  1.0
  O  O38  1  0.610  0.524  0.350  1.0
  O  O39  1  0.373  0.905  0.676  1.0
  O  O40  1  0.739  0.899  0.696  1.0
  O  O41  1  0.114  0.568  0.599  1.0
  O  O42  1  0.755  0.607  0.548  1.0
  O  O43  1  0.676  0.257  0.604  1.0
[/CIF]
.