The material described by Na2Cu(CO3)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three 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 a mixture of distorted edge and corner-sharing ONa2CuC trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1), one Cu(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Na2Cu(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   5.763
_cell_length_c   6.307
_cell_angle_alpha   64.492
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.356
_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  0.407  0.637  0.185  1.0
  Na  Na1  1  0.907  0.363  0.315  1.0
  Na  Na2  1  0.593  0.363  0.815  1.0
  Na  Na3  1  0.093  0.637  0.685  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  C  C6  1  0.732  0.806  0.870  1.0
  C  C7  1  0.232  0.194  0.630  1.0
  C  C8  1  0.268  0.194  0.130  1.0
  C  C9  1  0.768  0.806  0.370  1.0
  O  O10  1  0.831  0.622  0.906  1.0
  O  O11  1  0.331  0.378  0.594  1.0
  O  O12  1  0.925  0.786  0.325  1.0
  O  O13  1  0.425  0.214  0.175  1.0
  O  O14  1  0.075  0.214  0.675  1.0
  O  O15  1  0.575  0.786  0.825  1.0
  O  O16  1  0.723  0.018  0.381  1.0
  O  O17  1  0.223  0.982  0.119  1.0
  O  O18  1  0.277  0.982  0.619  1.0
  O  O19  1  0.777  0.018  0.881  1.0
  O  O20  1  0.669  0.622  0.406  1.0
  O  O21  1  0.169  0.378  0.094  1.0
[/CIF]
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The material described by Na2Cu(CO3)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three 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 a mixture of distorted edge and corner-sharing ONa2CuC trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1), one Cu(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Na2Cu(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   5.763
_cell_length_c   6.307
_cell_angle_alpha   64.492
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.356
_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  0.407  0.637  0.185  1.0
  Na  Na1  1  0.907  0.363  0.315  1.0
  Na  Na2  1  0.593  0.363  0.815  1.0
  Na  Na3  1  0.093  0.637  0.685  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  C  C6  1  0.732  0.806  0.870  1.0
  C  C7  1  0.232  0.194  0.630  1.0
  C  C8  1  0.268  0.194  0.130  1.0
  C  C9  1  0.768  0.806  0.370  1.0
  O  O10  1  0.831  0.622  0.906  1.0
  O  O11  1  0.331  0.378  0.594  1.0
  O  O12  1  0.925  0.786  0.325  1.0
  O  O13  1  0.425  0.214  0.175  1.0
  O  O14  1  0.075  0.214  0.675  1.0
  O  O15  1  0.575  0.786  0.825  1.0
  O  O16  1  0.723  0.018  0.381  1.0
  O  O17  1  0.223  0.982  0.119  1.0
  O  O18  1  0.277  0.982  0.619  1.0
  O  O19  1  0.777  0.018  0.881  1.0
  O  O20  1  0.669  0.622  0.406  1.0
  O  O21  1  0.169  0.378  0.094  1.0
[/CIF]
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