The structure described by Na2CuCAsO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form AsO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Cu(1), and one C(1) atom to form distorted edge-sharing ONa2CuC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Cu(1), and one C(1) atom to form distorted edge-sharing ONa2CuC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Cu(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cu(1), and one As(1) atom. is represented by the CIF card [CIF]
data_Na2CuAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   5.291
_cell_length_c   9.199
_cell_angle_alpha   89.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.846
_cell_formula_units_Z   2
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  0.504  0.769  0.766  1.0
  Na  Na1  1  0.996  0.769  0.766  1.0
  Na  Na2  1  0.496  0.231  0.234  1.0
  Na  Na3  1  0.004  0.231  0.234  1.0
  Cu  Cu4  1  0.250  0.217  0.650  1.0
  Cu  Cu5  1  0.750  0.783  0.350  1.0
  As  As6  1  0.750  0.296  0.574  1.0
  As  As7  1  0.250  0.704  0.426  1.0
  C  C8  1  0.250  0.273  0.926  1.0
  C  C9  1  0.750  0.727  0.074  1.0
  O  O10  1  0.750  0.717  0.936  1.0
  O  O11  1  0.250  0.059  0.858  1.0
  O  O12  1  0.250  0.472  0.842  1.0
  O  O13  1  0.952  0.206  0.679  1.0
  O  O14  1  0.548  0.206  0.679  1.0
  O  O15  1  0.250  0.838  0.594  1.0
  O  O16  1  0.750  0.623  0.552  1.0
  O  O17  1  0.250  0.377  0.448  1.0
  O  O18  1  0.750  0.162  0.406  1.0
  O  O19  1  0.452  0.794  0.321  1.0
  O  O20  1  0.048  0.794  0.321  1.0
  O  O21  1  0.750  0.528  0.158  1.0
  O  O22  1  0.750  0.941  0.142  1.0
  O  O23  1  0.250  0.283  0.064  1.0
[/CIF]
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The structure described by Na2CuCAsO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form AsO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Cu(1), and one C(1) atom to form distorted edge-sharing ONa2CuC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Cu(1), and one C(1) atom to form distorted edge-sharing ONa2CuC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Cu(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cu(1), and one As(1) atom. is represented by the CIF card [CIF]
data_Na2CuAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   5.291
_cell_length_c   9.199
_cell_angle_alpha   89.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.846
_cell_formula_units_Z   2
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  0.504  0.769  0.766  1.0
  Na  Na1  1  0.996  0.769  0.766  1.0
  Na  Na2  1  0.496  0.231  0.234  1.0
  Na  Na3  1  0.004  0.231  0.234  1.0
  Cu  Cu4  1  0.250  0.217  0.650  1.0
  Cu  Cu5  1  0.750  0.783  0.350  1.0
  As  As6  1  0.750  0.296  0.574  1.0
  As  As7  1  0.250  0.704  0.426  1.0
  C  C8  1  0.250  0.273  0.926  1.0
  C  C9  1  0.750  0.727  0.074  1.0
  O  O10  1  0.750  0.717  0.936  1.0
  O  O11  1  0.250  0.059  0.858  1.0
  O  O12  1  0.250  0.472  0.842  1.0
  O  O13  1  0.952  0.206  0.679  1.0
  O  O14  1  0.548  0.206  0.679  1.0
  O  O15  1  0.250  0.838  0.594  1.0
  O  O16  1  0.750  0.623  0.552  1.0
  O  O17  1  0.250  0.377  0.448  1.0
  O  O18  1  0.750  0.162  0.406  1.0
  O  O19  1  0.452  0.794  0.321  1.0
  O  O20  1  0.048  0.794  0.321  1.0
  O  O21  1  0.750  0.528  0.158  1.0
  O  O22  1  0.750  0.941  0.142  1.0
  O  O23  1  0.250  0.283  0.064  1.0
[/CIF]
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