The material described by Na5Cu3(AsO4)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(3), one O(6), one O(8), and two 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 As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(2)O5 square pyramids. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with three equivalent Cu(2)O5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1), one Cu(2), and one As(1) atom. In the third O site, O(3) is bonded to one Na(2), one Na(3), one Cu(1), and one As(1) atom to form distorted corner-sharing ONa2CuAs trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(3), and one As(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 As(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Cu(2), and one As(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 As(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(3), and one As(2) atom. is represented by the CIF card [CIF]
data_Na5Cu3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   8.697
_cell_length_c   9.468
_cell_angle_alpha   63.201
_cell_angle_beta   89.134
_cell_angle_gamma   74.652
_symmetry_Int_Tables_number   1
_cell_volume   377.256
_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  0.206  0.545  0.240  1.0
  Na  Na2  1  0.794  0.455  0.760  1.0
  Na  Na3  1  0.842  0.356  0.137  1.0
  Na  Na4  1  0.158  0.644  0.863  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.660  0.747  0.290  1.0
  Cu  Cu7  1  0.340  0.253  0.710  1.0
  As  As8  1  0.439  0.177  0.073  1.0
  As  As9  1  0.561  0.823  0.927  1.0
  As  As10  1  0.238  0.692  0.521  1.0
  As  As11  1  0.762  0.308  0.479  1.0
  O  O12  1  0.247  0.160  0.930  1.0
  O  O13  1  0.753  0.840  0.070  1.0
  O  O14  1  0.475  0.988  0.253  1.0
  O  O15  1  0.525  0.012  0.747  1.0
  O  O16  1  0.734  0.202  0.000  1.0
  O  O17  1  0.266  0.798  1.000  1.0
  O  O18  1  0.284  0.362  0.094  1.0
  O  O19  1  0.716  0.638  0.906  1.0
  O  O20  1  0.573  0.668  0.503  1.0
  O  O21  1  0.427  0.332  0.497  1.0
  O  O22  1  0.231  0.489  0.691  1.0
  O  O23  1  0.769  0.511  0.309  1.0
  O  O24  1  0.078  0.741  0.347  1.0
  O  O25  1  0.922  0.259  0.653  1.0
  O  O26  1  0.145  0.834  0.602  1.0
  O  O27  1  0.855  0.166  0.398  1.0
[/CIF]
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The material described by Na5Cu3(AsO4)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(3), one O(6), one O(8), and two 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 As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(2)O5 square pyramids. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with three equivalent Cu(2)O5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1), one Cu(2), and one As(1) atom. In the third O site, O(3) is bonded to one Na(2), one Na(3), one Cu(1), and one As(1) atom to form distorted corner-sharing ONa2CuAs trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(3), and one As(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 As(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Cu(2), and one As(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 As(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(3), and one As(2) atom. is represented by the CIF card [CIF]
data_Na5Cu3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   8.697
_cell_length_c   9.468
_cell_angle_alpha   63.201
_cell_angle_beta   89.134
_cell_angle_gamma   74.652
_symmetry_Int_Tables_number   1
_cell_volume   377.256
_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  0.206  0.545  0.240  1.0
  Na  Na2  1  0.794  0.455  0.760  1.0
  Na  Na3  1  0.842  0.356  0.137  1.0
  Na  Na4  1  0.158  0.644  0.863  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.660  0.747  0.290  1.0
  Cu  Cu7  1  0.340  0.253  0.710  1.0
  As  As8  1  0.439  0.177  0.073  1.0
  As  As9  1  0.561  0.823  0.927  1.0
  As  As10  1  0.238  0.692  0.521  1.0
  As  As11  1  0.762  0.308  0.479  1.0
  O  O12  1  0.247  0.160  0.930  1.0
  O  O13  1  0.753  0.840  0.070  1.0
  O  O14  1  0.475  0.988  0.253  1.0
  O  O15  1  0.525  0.012  0.747  1.0
  O  O16  1  0.734  0.202  0.000  1.0
  O  O17  1  0.266  0.798  1.000  1.0
  O  O18  1  0.284  0.362  0.094  1.0
  O  O19  1  0.716  0.638  0.906  1.0
  O  O20  1  0.573  0.668  0.503  1.0
  O  O21  1  0.427  0.332  0.497  1.0
  O  O22  1  0.231  0.489  0.691  1.0
  O  O23  1  0.769  0.511  0.309  1.0
  O  O24  1  0.078  0.741  0.347  1.0
  O  O25  1  0.922  0.259  0.653  1.0
  O  O26  1  0.145  0.834  0.602  1.0
  O  O27  1  0.855  0.166  0.398  1.0
[/CIF]
.