The crystal structure described by MnP2H2O7 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share 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 5-52°. H(1) is bonded in a linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one H(1) atom. is represented by the CIF file [CIF]
data_MnP2H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.361
_cell_length_c   9.555
_cell_angle_alpha   97.103
_cell_angle_beta   97.101
_cell_angle_gamma   95.426
_symmetry_Int_Tables_number   1
_cell_volume   268.747
_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
  H  H0  1  0.500  0.093  0.856  1.0
  H  H1  1  0.907  0.500  0.644  1.0
  H  H2  1  0.093  0.500  0.356  1.0
  H  H3  1  0.500  0.907  0.144  1.0
  Mn  Mn4  1  1.000  1.000  1.000  1.0
  Mn  Mn5  1  1.000  1.000  0.500  1.0
  O  O6  1  0.470  0.530  0.750  1.0
  O  O7  1  0.530  0.470  0.250  1.0
  O  O8  1  0.131  0.680  0.898  1.0
  O  O9  1  0.320  0.869  0.602  1.0
  O  O10  1  0.680  0.131  0.398  1.0
  O  O11  1  0.869  0.320  0.102  1.0
  O  O12  1  0.263  0.227  0.888  1.0
  O  O13  1  0.773  0.737  0.612  1.0
  O  O14  1  0.227  0.263  0.388  1.0
  O  O15  1  0.737  0.773  0.112  1.0
  O  O16  1  0.643  0.991  0.825  1.0
  O  O17  1  0.009  0.357  0.675  1.0
  O  O18  1  0.991  0.643  0.325  1.0
  O  O19  1  0.357  0.009  0.174  1.0
  P  P20  1  0.210  0.454  0.813  1.0
  P  P21  1  0.546  0.790  0.687  1.0
  P  P22  1  0.454  0.210  0.313  1.0
  P  P23  1  0.790  0.546  0.187  1.0
[/CIF]
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The crystal structure described by MnP2H2O7 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share 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 5-52°. H(1) is bonded in a linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one H(1) atom. is represented by the CIF file [CIF]
data_MnP2H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.361
_cell_length_c   9.555
_cell_angle_alpha   97.103
_cell_angle_beta   97.101
_cell_angle_gamma   95.426
_symmetry_Int_Tables_number   1
_cell_volume   268.747
_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
  H  H0  1  0.500  0.093  0.856  1.0
  H  H1  1  0.907  0.500  0.644  1.0
  H  H2  1  0.093  0.500  0.356  1.0
  H  H3  1  0.500  0.907  0.144  1.0
  Mn  Mn4  1  1.000  1.000  1.000  1.0
  Mn  Mn5  1  1.000  1.000  0.500  1.0
  O  O6  1  0.470  0.530  0.750  1.0
  O  O7  1  0.530  0.470  0.250  1.0
  O  O8  1  0.131  0.680  0.898  1.0
  O  O9  1  0.320  0.869  0.602  1.0
  O  O10  1  0.680  0.131  0.398  1.0
  O  O11  1  0.869  0.320  0.102  1.0
  O  O12  1  0.263  0.227  0.888  1.0
  O  O13  1  0.773  0.737  0.612  1.0
  O  O14  1  0.227  0.263  0.388  1.0
  O  O15  1  0.737  0.773  0.112  1.0
  O  O16  1  0.643  0.991  0.825  1.0
  O  O17  1  0.009  0.357  0.675  1.0
  O  O18  1  0.991  0.643  0.325  1.0
  O  O19  1  0.357  0.009  0.174  1.0
  P  P20  1  0.210  0.454  0.813  1.0
  P  P21  1  0.546  0.790  0.687  1.0
  P  P22  1  0.454  0.210  0.313  1.0
  P  P23  1  0.790  0.546  0.187  1.0
[/CIF]
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