The material structure described by Na5Cu3(PO4)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2), two equivalent O(5), and four equivalent O(8) atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Cu(2)O5 square pyramids, and edges with two equivalent P(2)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(8), and three equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form CuO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Na(1)O8 hexagonal bipyramid and corners with two equivalent Cu(2)O5 square pyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O8 hexagonal bipyramid, corners with three equivalent Cu(2)O5 square pyramids, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Cu(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), three equivalent Na(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(2), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Cu(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(3), two equivalent Na(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Na5Cu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.153
_cell_length_b   8.502
_cell_length_c   9.193
_cell_angle_alpha   116.132
_cell_angle_beta   89.512
_cell_angle_gamma   106.145
_symmetry_Int_Tables_number   1
_cell_volume   344.285
_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
  Na  Na0  1  0.500  0.000  0.500  1.0
  Na  Na1  1  0.788  0.536  0.756  1.0
  Na  Na2  1  0.212  0.464  0.244  1.0
  Na  Na3  1  0.164  0.353  0.864  1.0
  Na  Na4  1  0.836  0.647  0.136  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.348  0.750  0.707  1.0
  Cu  Cu7  1  0.652  0.250  0.293  1.0
  P  P8  1  0.571  0.183  0.931  1.0
  P  P9  1  0.429  0.817  0.069  1.0
  P  P10  1  0.778  0.694  0.477  1.0
  P  P11  1  0.222  0.306  0.523  1.0
  O  O12  1  0.763  0.174  0.062  1.0
  O  O13  1  0.237  0.826  0.938  1.0
  O  O14  1  0.528  0.010  0.766  1.0
  O  O15  1  0.472  0.990  0.234  1.0
  O  O16  1  0.298  0.201  0.003  1.0
  O  O17  1  0.702  0.799  0.997  1.0
  O  O18  1  0.703  0.356  0.909  1.0
  O  O19  1  0.297  0.644  0.091  1.0
  O  O20  1  0.472  0.695  0.496  1.0
  O  O21  1  0.528  0.305  0.504  1.0
  O  O22  1  0.761  0.500  0.325  1.0
  O  O23  1  0.239  0.500  0.675  1.0
  O  O24  1  0.918  0.727  0.637  1.0
  O  O25  1  0.082  0.273  0.363  1.0
  O  O26  1  0.913  0.826  0.407  1.0
  O  O27  1  0.087  0.174  0.593  1.0
[/CIF]
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The material structure described by Na5Cu3(PO4)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2), two equivalent O(5), and four equivalent O(8) atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Cu(2)O5 square pyramids, and edges with two equivalent P(2)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(8), and three equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form CuO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Na(1)O8 hexagonal bipyramid and corners with two equivalent Cu(2)O5 square pyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O8 hexagonal bipyramid, corners with three equivalent Cu(2)O5 square pyramids, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Cu(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), three equivalent Na(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(2), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Cu(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(3), two equivalent Na(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Na5Cu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.153
_cell_length_b   8.502
_cell_length_c   9.193
_cell_angle_alpha   116.132
_cell_angle_beta   89.512
_cell_angle_gamma   106.145
_symmetry_Int_Tables_number   1
_cell_volume   344.285
_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
  Na  Na0  1  0.500  0.000  0.500  1.0
  Na  Na1  1  0.788  0.536  0.756  1.0
  Na  Na2  1  0.212  0.464  0.244  1.0
  Na  Na3  1  0.164  0.353  0.864  1.0
  Na  Na4  1  0.836  0.647  0.136  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.348  0.750  0.707  1.0
  Cu  Cu7  1  0.652  0.250  0.293  1.0
  P  P8  1  0.571  0.183  0.931  1.0
  P  P9  1  0.429  0.817  0.069  1.0
  P  P10  1  0.778  0.694  0.477  1.0
  P  P11  1  0.222  0.306  0.523  1.0
  O  O12  1  0.763  0.174  0.062  1.0
  O  O13  1  0.237  0.826  0.938  1.0
  O  O14  1  0.528  0.010  0.766  1.0
  O  O15  1  0.472  0.990  0.234  1.0
  O  O16  1  0.298  0.201  0.003  1.0
  O  O17  1  0.702  0.799  0.997  1.0
  O  O18  1  0.703  0.356  0.909  1.0
  O  O19  1  0.297  0.644  0.091  1.0
  O  O20  1  0.472  0.695  0.496  1.0
  O  O21  1  0.528  0.305  0.504  1.0
  O  O22  1  0.761  0.500  0.325  1.0
  O  O23  1  0.239  0.500  0.675  1.0
  O  O24  1  0.918  0.727  0.637  1.0
  O  O25  1  0.082  0.273  0.363  1.0
  O  O26  1  0.913  0.826  0.407  1.0
  O  O27  1  0.087  0.174  0.593  1.0
[/CIF]
.