The material structure described by Na2Cu3Bi2As2O13 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(7), and two equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms. 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  a cornercorner with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Bi(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Cu(2), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(2), and one As(1) atom. In the fifth O site, O(5) is bonded to one Cu(1), one Cu(2), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OCu2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to one Cu(1), one Cu(2), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OCu2Bi2 tetrahedra. In the seventh O site, O(7) is bonded in an L-shaped geometry to two equivalent Na(1) atoms. is represented by the CIF file [CIF]
data_Na2Cu3Bi2As2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   5.625
_cell_length_c   12.676
_cell_angle_alpha   80.843
_cell_angle_beta   78.101
_cell_angle_gamma   62.314
_symmetry_Int_Tables_number   1
_cell_volume   322.096
_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  0.931  0.752  0.576  1.0
  Na  Na1  1  0.259  0.248  0.424  1.0
  Cu  Cu2  1  0.995  0.000  0.000  1.0
  Cu  Cu3  1  0.699  0.809  0.832  1.0
  Cu  Cu4  1  0.340  0.191  0.168  1.0
  Bi  Bi5  1  0.342  0.416  0.898  1.0
  Bi  Bi6  1  0.656  0.584  0.102  1.0
  As  As7  1  0.116  0.087  0.716  1.0
  As  As8  1  0.919  0.913  0.284  1.0
  O  O9  1  0.921  0.293  0.824  1.0
  O  O10  1  0.038  0.707  0.176  1.0
  O  O11  1  0.066  0.790  0.743  1.0
  O  O12  1  0.600  0.210  0.257  1.0
  O  O13  1  0.014  0.245  0.596  1.0
  O  O14  1  0.855  0.755  0.404  1.0
  O  O15  1  0.491  0.973  0.711  1.0
  O  O16  1  0.175  0.027  0.289  1.0
  O  O17  1  0.098  0.237  0.061  1.0
  O  O18  1  0.397  0.763  0.939  1.0
  O  O19  1  0.588  0.261  0.043  1.0
  O  O20  1  0.893  0.739  0.957  1.0
  O  O21  1  0.467  0.500  0.500  1.0
[/CIF]
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The material structure described by Na2Cu3Bi2As2O13 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(7), and two equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms. 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  a cornercorner with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Bi(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Cu(2), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(2), and one As(1) atom. In the fifth O site, O(5) is bonded to one Cu(1), one Cu(2), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OCu2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to one Cu(1), one Cu(2), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OCu2Bi2 tetrahedra. In the seventh O site, O(7) is bonded in an L-shaped geometry to two equivalent Na(1) atoms. is represented by the CIF file [CIF]
data_Na2Cu3Bi2As2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   5.625
_cell_length_c   12.676
_cell_angle_alpha   80.843
_cell_angle_beta   78.101
_cell_angle_gamma   62.314
_symmetry_Int_Tables_number   1
_cell_volume   322.096
_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  0.931  0.752  0.576  1.0
  Na  Na1  1  0.259  0.248  0.424  1.0
  Cu  Cu2  1  0.995  0.000  0.000  1.0
  Cu  Cu3  1  0.699  0.809  0.832  1.0
  Cu  Cu4  1  0.340  0.191  0.168  1.0
  Bi  Bi5  1  0.342  0.416  0.898  1.0
  Bi  Bi6  1  0.656  0.584  0.102  1.0
  As  As7  1  0.116  0.087  0.716  1.0
  As  As8  1  0.919  0.913  0.284  1.0
  O  O9  1  0.921  0.293  0.824  1.0
  O  O10  1  0.038  0.707  0.176  1.0
  O  O11  1  0.066  0.790  0.743  1.0
  O  O12  1  0.600  0.210  0.257  1.0
  O  O13  1  0.014  0.245  0.596  1.0
  O  O14  1  0.855  0.755  0.404  1.0
  O  O15  1  0.491  0.973  0.711  1.0
  O  O16  1  0.175  0.027  0.289  1.0
  O  O17  1  0.098  0.237  0.061  1.0
  O  O18  1  0.397  0.763  0.939  1.0
  O  O19  1  0.588  0.261  0.043  1.0
  O  O20  1  0.893  0.739  0.957  1.0
  O  O21  1  0.467  0.500  0.500  1.0
[/CIF]
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