The material structure described by NaCoPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with four equivalent Co(1)O6 pentagonal pyramids, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Co(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CoO6 pentagonal pyramids that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Co(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-72°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Co(1)O6 pentagonal pyramids, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Co(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.279
_cell_length_c   10.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.445
_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
  Na  Na0  1  0.000  0.500  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.500  0.000  0.500  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.490  0.750  0.219  1.0
  Co  Co5  1  0.990  0.250  0.281  1.0
  Co  Co6  1  0.010  0.750  0.719  1.0
  Co  Co7  1  0.510  0.250  0.781  1.0
  P  P8  1  0.434  0.250  0.106  1.0
  P  P9  1  0.934  0.750  0.394  1.0
  P  P10  1  0.066  0.250  0.606  1.0
  P  P11  1  0.566  0.750  0.894  1.0
  O  O12  1  0.662  0.750  0.038  1.0
  O  O13  1  0.741  0.250  0.114  1.0
  O  O14  1  0.299  0.054  0.176  1.0
  O  O15  1  0.299  0.446  0.176  1.0
  O  O16  1  0.799  0.554  0.324  1.0
  O  O17  1  0.799  0.946  0.324  1.0
  O  O18  1  0.241  0.750  0.386  1.0
  O  O19  1  0.162  0.250  0.462  1.0
  O  O20  1  0.838  0.750  0.538  1.0
  O  O21  1  0.759  0.250  0.614  1.0
  O  O22  1  0.201  0.054  0.676  1.0
  O  O23  1  0.201  0.446  0.676  1.0
  O  O24  1  0.701  0.554  0.824  1.0
  O  O25  1  0.701  0.946  0.824  1.0
  O  O26  1  0.259  0.750  0.886  1.0
  O  O27  1  0.338  0.250  0.962  1.0
[/CIF]
.
The material structure described by NaCoPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with four equivalent Co(1)O6 pentagonal pyramids, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Co(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CoO6 pentagonal pyramids that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Co(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-72°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Co(1)O6 pentagonal pyramids, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Co(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.279
_cell_length_c   10.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.445
_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
  Na  Na0  1  0.000  0.500  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.500  0.000  0.500  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.490  0.750  0.219  1.0
  Co  Co5  1  0.990  0.250  0.281  1.0
  Co  Co6  1  0.010  0.750  0.719  1.0
  Co  Co7  1  0.510  0.250  0.781  1.0
  P  P8  1  0.434  0.250  0.106  1.0
  P  P9  1  0.934  0.750  0.394  1.0
  P  P10  1  0.066  0.250  0.606  1.0
  P  P11  1  0.566  0.750  0.894  1.0
  O  O12  1  0.662  0.750  0.038  1.0
  O  O13  1  0.741  0.250  0.114  1.0
  O  O14  1  0.299  0.054  0.176  1.0
  O  O15  1  0.299  0.446  0.176  1.0
  O  O16  1  0.799  0.554  0.324  1.0
  O  O17  1  0.799  0.946  0.324  1.0
  O  O18  1  0.241  0.750  0.386  1.0
  O  O19  1  0.162  0.250  0.462  1.0
  O  O20  1  0.838  0.750  0.538  1.0
  O  O21  1  0.759  0.250  0.614  1.0
  O  O22  1  0.201  0.054  0.676  1.0
  O  O23  1  0.201  0.446  0.676  1.0
  O  O24  1  0.701  0.554  0.824  1.0
  O  O25  1  0.701  0.946  0.824  1.0
  O  O26  1  0.259  0.750  0.886  1.0
  O  O27  1  0.338  0.250  0.962  1.0
[/CIF]
.