The compound described by NaCu2H3O10 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. Cu(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CuO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent O(3) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Cu(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Cu(1), and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_NaCu2H3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.214
_cell_length_b   6.214
_cell_length_c   6.871
_cell_angle_alpha   67.015
_cell_angle_beta   67.015
_cell_angle_gamma   57.021
_symmetry_Int_Tables_number   1
_cell_volume   199.345
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  H  H3  1  0.495  0.495  0.252  1.0
  H  H4  1  0.505  0.505  0.748  1.0
  H  H5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.279  0.279  0.832  1.0
  O  O7  1  0.721  0.721  0.168  1.0
  O  O8  1  0.428  0.428  0.405  1.0
  O  O9  1  0.572  0.572  0.595  1.0
  O  O10  1  0.409  0.020  0.818  1.0
  O  O11  1  0.591  0.980  0.182  1.0
  O  O12  1  0.980  0.591  0.182  1.0
  O  O13  1  0.020  0.409  0.818  1.0
  O  O14  1  0.148  0.148  0.529  1.0
  O  O15  1  0.852  0.852  0.471  1.0
[/CIF]
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The compound described by NaCu2H3O10 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. Cu(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CuO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent O(3) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Cu(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Cu(1), and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_NaCu2H3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.214
_cell_length_b   6.214
_cell_length_c   6.871
_cell_angle_alpha   67.015
_cell_angle_beta   67.015
_cell_angle_gamma   57.021
_symmetry_Int_Tables_number   1
_cell_volume   199.345
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  H  H3  1  0.495  0.495  0.252  1.0
  H  H4  1  0.505  0.505  0.748  1.0
  H  H5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.279  0.279  0.832  1.0
  O  O7  1  0.721  0.721  0.168  1.0
  O  O8  1  0.428  0.428  0.405  1.0
  O  O9  1  0.572  0.572  0.595  1.0
  O  O10  1  0.409  0.020  0.818  1.0
  O  O11  1  0.591  0.980  0.182  1.0
  O  O12  1  0.980  0.591  0.182  1.0
  O  O13  1  0.020  0.409  0.818  1.0
  O  O14  1  0.148  0.148  0.529  1.0
  O  O15  1  0.852  0.852  0.471  1.0
[/CIF]
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