The compound described by NaCaMn2P3(HO6)2 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(6) atoms. Ca(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO6 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. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Ca(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 one Ca(1), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCaMn2P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.924
_cell_length_b   8.924
_cell_length_c   6.792
_cell_angle_alpha   72.335
_cell_angle_beta   72.335
_cell_angle_gamma   89.585
_symmetry_Int_Tables_number   1
_cell_volume   488.929
_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
  Na  Na0  1  0.955  0.045  0.750  1.0
  Na  Na1  1  0.045  0.955  0.250  1.0
  Ca  Ca2  1  0.287  0.713  0.750  1.0
  Ca  Ca3  1  0.713  0.287  0.250  1.0
  Mn  Mn4  1  0.381  0.055  0.861  1.0
  Mn  Mn5  1  0.945  0.619  0.639  1.0
  Mn  Mn6  1  0.619  0.945  0.139  1.0
  Mn  Mn7  1  0.055  0.381  0.361  1.0
  P  P8  1  0.689  0.311  0.750  1.0
  P  P9  1  0.311  0.689  0.250  1.0
  P  P10  1  0.682  0.891  0.615  1.0
  P  P11  1  0.109  0.318  0.885  1.0
  P  P12  1  0.318  0.109  0.385  1.0
  P  P13  1  0.891  0.682  0.115  1.0
  H  H14  1  0.373  0.373  0.803  1.0
  H  H15  1  0.627  0.627  0.697  1.0
  H  H16  1  0.627  0.627  0.197  1.0
  H  H17  1  0.373  0.373  0.303  1.0
  O  O18  1  0.283  0.807  0.044  1.0
  O  O19  1  0.193  0.717  0.456  1.0
  O  O20  1  0.717  0.193  0.956  1.0
  O  O21  1  0.807  0.283  0.544  1.0
  O  O22  1  0.519  0.285  0.741  1.0
  O  O23  1  0.715  0.481  0.759  1.0
  O  O24  1  0.481  0.715  0.259  1.0
  O  O25  1  0.285  0.519  0.241  1.0
  O  O26  1  0.328  0.991  0.598  1.0
  O  O27  1  0.009  0.672  0.902  1.0
  O  O28  1  0.672  0.009  0.402  1.0
  O  O29  1  0.991  0.328  0.098  1.0
  O  O30  1  0.268  0.426  0.841  1.0
  O  O31  1  0.574  0.732  0.659  1.0
  O  O32  1  0.732  0.574  0.159  1.0
  O  O33  1  0.426  0.268  0.341  1.0
  O  O34  1  0.612  0.954  0.808  1.0
  O  O35  1  0.046  0.388  0.692  1.0
  O  O36  1  0.388  0.046  0.192  1.0
  O  O37  1  0.954  0.612  0.308  1.0
  O  O38  1  0.151  0.148  0.904  1.0
  O  O39  1  0.852  0.849  0.596  1.0
  O  O40  1  0.849  0.852  0.096  1.0
  O  O41  1  0.148  0.151  0.404  1.0
[/CIF]
.
The compound described by NaCaMn2P3(HO6)2 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(6) atoms. Ca(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO6 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. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Ca(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 one Ca(1), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCaMn2P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.924
_cell_length_b   8.924
_cell_length_c   6.792
_cell_angle_alpha   72.335
_cell_angle_beta   72.335
_cell_angle_gamma   89.585
_symmetry_Int_Tables_number   1
_cell_volume   488.929
_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
  Na  Na0  1  0.955  0.045  0.750  1.0
  Na  Na1  1  0.045  0.955  0.250  1.0
  Ca  Ca2  1  0.287  0.713  0.750  1.0
  Ca  Ca3  1  0.713  0.287  0.250  1.0
  Mn  Mn4  1  0.381  0.055  0.861  1.0
  Mn  Mn5  1  0.945  0.619  0.639  1.0
  Mn  Mn6  1  0.619  0.945  0.139  1.0
  Mn  Mn7  1  0.055  0.381  0.361  1.0
  P  P8  1  0.689  0.311  0.750  1.0
  P  P9  1  0.311  0.689  0.250  1.0
  P  P10  1  0.682  0.891  0.615  1.0
  P  P11  1  0.109  0.318  0.885  1.0
  P  P12  1  0.318  0.109  0.385  1.0
  P  P13  1  0.891  0.682  0.115  1.0
  H  H14  1  0.373  0.373  0.803  1.0
  H  H15  1  0.627  0.627  0.697  1.0
  H  H16  1  0.627  0.627  0.197  1.0
  H  H17  1  0.373  0.373  0.303  1.0
  O  O18  1  0.283  0.807  0.044  1.0
  O  O19  1  0.193  0.717  0.456  1.0
  O  O20  1  0.717  0.193  0.956  1.0
  O  O21  1  0.807  0.283  0.544  1.0
  O  O22  1  0.519  0.285  0.741  1.0
  O  O23  1  0.715  0.481  0.759  1.0
  O  O24  1  0.481  0.715  0.259  1.0
  O  O25  1  0.285  0.519  0.241  1.0
  O  O26  1  0.328  0.991  0.598  1.0
  O  O27  1  0.009  0.672  0.902  1.0
  O  O28  1  0.672  0.009  0.402  1.0
  O  O29  1  0.991  0.328  0.098  1.0
  O  O30  1  0.268  0.426  0.841  1.0
  O  O31  1  0.574  0.732  0.659  1.0
  O  O32  1  0.732  0.574  0.159  1.0
  O  O33  1  0.426  0.268  0.341  1.0
  O  O34  1  0.612  0.954  0.808  1.0
  O  O35  1  0.046  0.388  0.692  1.0
  O  O36  1  0.388  0.046  0.192  1.0
  O  O37  1  0.954  0.612  0.308  1.0
  O  O38  1  0.151  0.148  0.904  1.0
  O  O39  1  0.852  0.849  0.596  1.0
  O  O40  1  0.849  0.852  0.096  1.0
  O  O41  1  0.148  0.151  0.404  1.0
[/CIF]
.