The structure described by Ca2MnP2(H2O5)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ca(1), one Mn(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one P(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Ca2MnP2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.848
_cell_length_c   6.640
_cell_angle_alpha   89.853
_cell_angle_beta   77.524
_cell_angle_gamma   108.801
_symmetry_Int_Tables_number   1
_cell_volume   199.417
_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
  Ca  Ca0  1  0.665  0.397  0.234  1.0
  Ca  Ca1  1  0.335  0.603  0.766  1.0
  H  H2  1  0.189  0.929  0.563  1.0
  H  H3  1  0.811  0.071  0.437  1.0
  H  H4  1  0.919  0.716  0.658  1.0
  H  H5  1  0.081  0.284  0.342  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.068  0.842  0.698  1.0
  O  O8  1  0.932  0.158  0.302  1.0
  O  O9  1  0.603  0.754  0.071  1.0
  O  O10  1  0.397  0.246  0.929  1.0
  O  O11  1  0.123  0.693  0.117  1.0
  O  O12  1  0.877  0.307  0.883  1.0
  O  O13  1  0.383  0.995  0.330  1.0
  O  O14  1  0.617  0.005  0.670  1.0
  O  O15  1  0.302  0.542  0.398  1.0
  O  O16  1  0.698  0.458  0.602  1.0
  P  P17  1  0.648  0.247  0.767  1.0
  P  P18  1  0.352  0.753  0.233  1.0
[/CIF]
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The structure described by Ca2MnP2(H2O5)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ca(1), one Mn(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one P(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Ca2MnP2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.848
_cell_length_c   6.640
_cell_angle_alpha   89.853
_cell_angle_beta   77.524
_cell_angle_gamma   108.801
_symmetry_Int_Tables_number   1
_cell_volume   199.417
_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
  Ca  Ca0  1  0.665  0.397  0.234  1.0
  Ca  Ca1  1  0.335  0.603  0.766  1.0
  H  H2  1  0.189  0.929  0.563  1.0
  H  H3  1  0.811  0.071  0.437  1.0
  H  H4  1  0.919  0.716  0.658  1.0
  H  H5  1  0.081  0.284  0.342  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.068  0.842  0.698  1.0
  O  O8  1  0.932  0.158  0.302  1.0
  O  O9  1  0.603  0.754  0.071  1.0
  O  O10  1  0.397  0.246  0.929  1.0
  O  O11  1  0.123  0.693  0.117  1.0
  O  O12  1  0.877  0.307  0.883  1.0
  O  O13  1  0.383  0.995  0.330  1.0
  O  O14  1  0.617  0.005  0.670  1.0
  O  O15  1  0.302  0.542  0.398  1.0
  O  O16  1  0.698  0.458  0.602  1.0
  P  P17  1  0.648  0.247  0.767  1.0
  P  P18  1  0.352  0.753  0.233  1.0
[/CIF]
.