The material described by NaCo3P3(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. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)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 Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. 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 Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. 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 Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), 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 Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(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 Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded to two equivalent Na(1), one Co(2), and one P(2) atom to form a mixture of distorted corner and edge-sharing ONa2CoP trigonal pyramids. is represented by the CIF card [CIF]
data_NaCo3P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.551
_cell_length_b   8.551
_cell_length_c   6.620
_cell_angle_alpha   73.255
_cell_angle_beta   73.255
_cell_angle_gamma   91.053
_symmetry_Int_Tables_number   1
_cell_volume   441.080
_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  0.957  0.043  0.250  1.0
  Na  Na1  1  0.043  0.957  0.750  1.0
  Co  Co2  1  0.724  0.276  0.750  1.0
  Co  Co3  1  0.276  0.724  0.250  1.0
  Co  Co4  1  0.626  0.950  0.626  1.0
  Co  Co5  1  0.050  0.374  0.874  1.0
  Co  Co6  1  0.374  0.050  0.374  1.0
  Co  Co7  1  0.950  0.626  0.126  1.0
  P  P8  1  0.317  0.683  0.750  1.0
  P  P9  1  0.683  0.317  0.250  1.0
  P  P10  1  0.328  0.106  0.890  1.0
  P  P11  1  0.894  0.672  0.610  1.0
  P  P12  1  0.672  0.894  0.110  1.0
  P  P13  1  0.106  0.328  0.390  1.0
  H  H14  1  0.388  0.376  0.811  1.0
  H  H15  1  0.624  0.612  0.689  1.0
  H  H16  1  0.612  0.624  0.189  1.0
  H  H17  1  0.376  0.388  0.311  1.0
  O  O18  1  0.721  0.207  0.461  1.0
  O  O19  1  0.793  0.279  0.039  1.0
  O  O20  1  0.279  0.793  0.539  1.0
  O  O21  1  0.207  0.721  0.961  1.0
  O  O22  1  0.501  0.715  0.732  1.0
  O  O23  1  0.285  0.499  0.768  1.0
  O  O24  1  0.499  0.285  0.268  1.0
  O  O25  1  0.715  0.501  0.232  1.0
  O  O26  1  0.672  0.018  0.888  1.0
  O  O27  1  0.982  0.328  0.612  1.0
  O  O28  1  0.328  0.982  0.112  1.0
  O  O29  1  0.018  0.672  0.388  1.0
  O  O30  1  0.733  0.551  0.656  1.0
  O  O31  1  0.449  0.267  0.844  1.0
  O  O32  1  0.267  0.449  0.344  1.0
  O  O33  1  0.551  0.733  0.156  1.0
  O  O34  1  0.393  0.035  0.697  1.0
  O  O35  1  0.965  0.607  0.803  1.0
  O  O36  1  0.607  0.965  0.303  1.0
  O  O37  1  0.035  0.393  0.197  1.0
  O  O38  1  0.846  0.846  0.596  1.0
  O  O39  1  0.154  0.154  0.904  1.0
  O  O40  1  0.154  0.154  0.404  1.0
  O  O41  1  0.846  0.846  0.096  1.0
[/CIF]
.
The material described by NaCo3P3(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. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)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 Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. 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 Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. 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 Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), 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 Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(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 Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded to two equivalent Na(1), one Co(2), and one P(2) atom to form a mixture of distorted corner and edge-sharing ONa2CoP trigonal pyramids. is represented by the CIF card [CIF]
data_NaCo3P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.551
_cell_length_b   8.551
_cell_length_c   6.620
_cell_angle_alpha   73.255
_cell_angle_beta   73.255
_cell_angle_gamma   91.053
_symmetry_Int_Tables_number   1
_cell_volume   441.080
_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  0.957  0.043  0.250  1.0
  Na  Na1  1  0.043  0.957  0.750  1.0
  Co  Co2  1  0.724  0.276  0.750  1.0
  Co  Co3  1  0.276  0.724  0.250  1.0
  Co  Co4  1  0.626  0.950  0.626  1.0
  Co  Co5  1  0.050  0.374  0.874  1.0
  Co  Co6  1  0.374  0.050  0.374  1.0
  Co  Co7  1  0.950  0.626  0.126  1.0
  P  P8  1  0.317  0.683  0.750  1.0
  P  P9  1  0.683  0.317  0.250  1.0
  P  P10  1  0.328  0.106  0.890  1.0
  P  P11  1  0.894  0.672  0.610  1.0
  P  P12  1  0.672  0.894  0.110  1.0
  P  P13  1  0.106  0.328  0.390  1.0
  H  H14  1  0.388  0.376  0.811  1.0
  H  H15  1  0.624  0.612  0.689  1.0
  H  H16  1  0.612  0.624  0.189  1.0
  H  H17  1  0.376  0.388  0.311  1.0
  O  O18  1  0.721  0.207  0.461  1.0
  O  O19  1  0.793  0.279  0.039  1.0
  O  O20  1  0.279  0.793  0.539  1.0
  O  O21  1  0.207  0.721  0.961  1.0
  O  O22  1  0.501  0.715  0.732  1.0
  O  O23  1  0.285  0.499  0.768  1.0
  O  O24  1  0.499  0.285  0.268  1.0
  O  O25  1  0.715  0.501  0.232  1.0
  O  O26  1  0.672  0.018  0.888  1.0
  O  O27  1  0.982  0.328  0.612  1.0
  O  O28  1  0.328  0.982  0.112  1.0
  O  O29  1  0.018  0.672  0.388  1.0
  O  O30  1  0.733  0.551  0.656  1.0
  O  O31  1  0.449  0.267  0.844  1.0
  O  O32  1  0.267  0.449  0.344  1.0
  O  O33  1  0.551  0.733  0.156  1.0
  O  O34  1  0.393  0.035  0.697  1.0
  O  O35  1  0.965  0.607  0.803  1.0
  O  O36  1  0.607  0.965  0.303  1.0
  O  O37  1  0.035  0.393  0.197  1.0
  O  O38  1  0.846  0.846  0.596  1.0
  O  O39  1  0.154  0.154  0.904  1.0
  O  O40  1  0.154  0.154  0.404  1.0
  O  O41  1  0.846  0.846  0.096  1.0
[/CIF]
.