data_Na3Nd(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Nd(AsO4)2
_chemical_formula_sum   'Na3 Nd1 As2 O8'
_cell_volume   224.61
_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  0.0  0.42  0.17  1.0
  Na  Na1  1  0.96  0.71  0.22  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Nd  Nd3  1  0.0  0.0  0.69  1.0
  As  As4  1  0.0  0.42  0.59  1.0
  As  As5  1  0.96  0.71  0.8  1.0
  O  O6  1  0.0  0.42  0.31  1.0
  O  O7  1  0.96  0.71  0.08  1.0
  O  O8  1  0.62  0.22  0.26  1.0
  O  O9  1  0.35  0.91  0.13  1.0
  O  O10  1  0.0  0.82  0.26  1.0
  O  O11  1  0.96  0.31  0.13  1.0
  O  O12  1  0.38  0.22  0.26  1.0
  O  O13  1  0.58  0.91  0.13  1.0

data_Na3Nd(AsO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Nd(AsO4)2
_chemical_formula_sum   'Na3 Nd1 As2 O8'
_cell_volume   224.61
_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  -0.0  0.42  0.17  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.96  0.71  0.22  1.0
  Nd  Nd3  1  0.0  0.0  0.69  1.0
  As  As4  1  -0.0  0.42  0.59  1.0
  As  As5  1  0.96  0.71  0.8  1.0
  O  O6  1  -0.0  0.42  0.31  1.0
  O  O7  1  -0.0  0.82  0.26  1.0
  O  O8  1  0.35  0.91  0.13  1.0
  O  O9  1  0.38  0.22  0.26  1.0
  O  O10  1  0.58  0.91  0.13  1.0
  O  O11  1  0.62  0.22  0.26  1.0
  O  O12  1  0.96  0.71  0.08  1.0
  O  O13  1  0.96  0.31  0.13  1.0

Na Na Na Nd As As O O O O O O O O
Na Na Na Nd As As O O O O O O O O 0 11 - o o 0 6 o o o 1 10 + o o 1 2 + + o 1 7 o o o 2 11 - o o 2 5 - - - 2 10 o - o 2 7 - - o 2 3 o o - 3 5 - - o 3 4 o o o 4 5 - o o 4 6 o o o 5 7 o o + 8 12 o o o 9 13 o o o 
Na3Nd(AsO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a bent 120 degrees geometry to one O(1), one O(3), one O(4), and one O(6) atom. The Na(1)-O(1) bond length is 1.03 Å. The Na(1)-O(3) bond length is 2.08 Å. The Na(1)-O(4) bond length is 2.60 Å. The Na(1)-O(6) bond length is 0.66 Å. In the second Na site, Na(2) is bonded in a bent 120 degrees geometry to one O(2), one O(3), one O(4), and one O(5) atom. The Na(2)-O(2) bond length is 1.03 Å. The Na(2)-O(3) bond length is 2.60 Å. The Na(2)-O(4) bond length is 2.08 Å. The Na(2)-O(5) bond length is 0.66 Å. In the third Na site, Na(3) is bonded in a 1-coordinate geometry to one Nd(1), one As(2), one O(2), one O(4), one O(7), and one O(8) atom. The Na(3)-Nd(1) bond length is 2.27 Å. The Na(3)-As(2) bond length is 2.21 Å. The Na(3)-O(2) bond length is 1.72 Å. The Na(3)-O(4) bond length is 2.54 Å. The Na(3)-O(7) bond length is 2.75 Å. The Na(3)-O(8) bond length is 2.46 Å. Nd(1) is bonded in a 4-coordinate geometry to one Na(3), one As(1), one As(2), and one O(5) atom. The Nd(1)-As(1) bond length is 2.61 Å. The Nd(1)-As(2) bond length is 1.79 Å. The Nd(1)-O(5) bond length is 3.37 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted water-like geometry to one Nd(1) and one O(1) atom. The As(1)-O(1) bond length is 2.10 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to one Na(3), one Nd(1), and one O(2) atom. The As(2)-O(2) bond length is 2.10 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Na(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(2), one Na(3), and one As(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one O(7) atom. The O(3)-O(7) bond length is 1.38 Å. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), one O(7), and one O(8) atom. The O(4)-O(7) bond length is 1.98 Å. The O(4)-O(8) bond length is 1.38 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one Na(2) and one Nd(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Na(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(3), one O(3), and one O(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(3) and one O(4) atom.