The material described by Mn2CPH2O7 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(4), one O(5), one O(6), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. C(1) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(7) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one C(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one C(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PH2CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.594
_cell_length_b   10.175
_cell_length_c   10.345
_cell_angle_alpha   63.512
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.255
_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
  Mn  Mn0  1  0.146  0.026  0.116  1.0
  Mn  Mn1  1  0.354  0.526  0.116  1.0
  Mn  Mn2  1  0.974  0.267  0.235  1.0
  Mn  Mn3  1  0.526  0.767  0.235  1.0
  Mn  Mn4  1  0.474  0.233  0.765  1.0
  Mn  Mn5  1  0.026  0.733  0.765  1.0
  Mn  Mn6  1  0.646  0.474  0.884  1.0
  Mn  Mn7  1  0.854  0.974  0.884  1.0
  P  P8  1  0.651  0.105  0.102  1.0
  P  P9  1  0.849  0.605  0.102  1.0
  P  P10  1  0.151  0.395  0.898  1.0
  P  P11  1  0.349  0.895  0.898  1.0
  H  H12  1  0.456  0.221  0.266  1.0
  H  H13  1  0.378  0.278  0.378  1.0
  H  H14  1  0.044  0.721  0.266  1.0
  H  H15  1  0.122  0.778  0.378  1.0
  H  H16  1  0.878  0.222  0.622  1.0
  H  H17  1  0.956  0.279  0.734  1.0
  H  H18  1  0.622  0.722  0.622  1.0
  H  H19  1  0.544  0.779  0.734  1.0
  C  C20  1  0.954  0.042  0.541  1.0
  C  C21  1  0.454  0.458  0.459  1.0
  C  C22  1  0.546  0.542  0.541  1.0
  C  C23  1  0.046  0.958  0.459  1.0
  O  O24  1  0.827  0.015  0.078  1.0
  O  O25  1  0.099  0.261  0.045  1.0
  O  O26  1  0.701  0.162  0.214  1.0
  O  O27  1  0.673  0.515  0.078  1.0
  O  O28  1  0.090  0.037  0.328  1.0
  O  O29  1  0.033  0.497  0.157  1.0
  O  O30  1  0.401  0.761  0.045  1.0
  O  O31  1  0.349  0.282  0.282  1.0
  O  O32  1  0.799  0.662  0.214  1.0
  O  O33  1  0.930  0.179  0.472  1.0
  O  O34  1  0.410  0.537  0.328  1.0
  O  O35  1  0.467  0.997  0.157  1.0
  O  O36  1  0.151  0.782  0.282  1.0
  O  O37  1  0.430  0.321  0.528  1.0
  O  O38  1  0.570  0.679  0.472  1.0
  O  O39  1  0.849  0.218  0.718  1.0
  O  O40  1  0.533  0.003  0.843  1.0
  O  O41  1  0.590  0.463  0.672  1.0
  O  O42  1  0.070  0.821  0.528  1.0
  O  O43  1  0.201  0.338  0.786  1.0
  O  O44  1  0.651  0.718  0.718  1.0
  O  O45  1  0.599  0.239  0.955  1.0
  O  O46  1  0.967  0.503  0.843  1.0
  O  O47  1  0.910  0.963  0.672  1.0
  O  O48  1  0.327  0.485  0.922  1.0
  O  O49  1  0.299  0.838  0.786  1.0
  O  O50  1  0.901  0.739  0.955  1.0
  O  O51  1  0.173  0.985  0.922  1.0
[/CIF]
.
The material described by Mn2CPH2O7 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(4), one O(5), one O(6), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. C(1) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(7) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one C(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one C(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PH2CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.594
_cell_length_b   10.175
_cell_length_c   10.345
_cell_angle_alpha   63.512
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.255
_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
  Mn  Mn0  1  0.146  0.026  0.116  1.0
  Mn  Mn1  1  0.354  0.526  0.116  1.0
  Mn  Mn2  1  0.974  0.267  0.235  1.0
  Mn  Mn3  1  0.526  0.767  0.235  1.0
  Mn  Mn4  1  0.474  0.233  0.765  1.0
  Mn  Mn5  1  0.026  0.733  0.765  1.0
  Mn  Mn6  1  0.646  0.474  0.884  1.0
  Mn  Mn7  1  0.854  0.974  0.884  1.0
  P  P8  1  0.651  0.105  0.102  1.0
  P  P9  1  0.849  0.605  0.102  1.0
  P  P10  1  0.151  0.395  0.898  1.0
  P  P11  1  0.349  0.895  0.898  1.0
  H  H12  1  0.456  0.221  0.266  1.0
  H  H13  1  0.378  0.278  0.378  1.0
  H  H14  1  0.044  0.721  0.266  1.0
  H  H15  1  0.122  0.778  0.378  1.0
  H  H16  1  0.878  0.222  0.622  1.0
  H  H17  1  0.956  0.279  0.734  1.0
  H  H18  1  0.622  0.722  0.622  1.0
  H  H19  1  0.544  0.779  0.734  1.0
  C  C20  1  0.954  0.042  0.541  1.0
  C  C21  1  0.454  0.458  0.459  1.0
  C  C22  1  0.546  0.542  0.541  1.0
  C  C23  1  0.046  0.958  0.459  1.0
  O  O24  1  0.827  0.015  0.078  1.0
  O  O25  1  0.099  0.261  0.045  1.0
  O  O26  1  0.701  0.162  0.214  1.0
  O  O27  1  0.673  0.515  0.078  1.0
  O  O28  1  0.090  0.037  0.328  1.0
  O  O29  1  0.033  0.497  0.157  1.0
  O  O30  1  0.401  0.761  0.045  1.0
  O  O31  1  0.349  0.282  0.282  1.0
  O  O32  1  0.799  0.662  0.214  1.0
  O  O33  1  0.930  0.179  0.472  1.0
  O  O34  1  0.410  0.537  0.328  1.0
  O  O35  1  0.467  0.997  0.157  1.0
  O  O36  1  0.151  0.782  0.282  1.0
  O  O37  1  0.430  0.321  0.528  1.0
  O  O38  1  0.570  0.679  0.472  1.0
  O  O39  1  0.849  0.218  0.718  1.0
  O  O40  1  0.533  0.003  0.843  1.0
  O  O41  1  0.590  0.463  0.672  1.0
  O  O42  1  0.070  0.821  0.528  1.0
  O  O43  1  0.201  0.338  0.786  1.0
  O  O44  1  0.651  0.718  0.718  1.0
  O  O45  1  0.599  0.239  0.955  1.0
  O  O46  1  0.967  0.503  0.843  1.0
  O  O47  1  0.910  0.963  0.672  1.0
  O  O48  1  0.327  0.485  0.922  1.0
  O  O49  1  0.299  0.838  0.786  1.0
  O  O50  1  0.901  0.739  0.955  1.0
  O  O51  1  0.173  0.985  0.922  1.0
[/CIF]
.