The crystal structure described by Cu3H2(CO4)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form edge-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form edge-sharing CuO5 square pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(2) atom. is represented by the CIF card [CIF]
data_Cu3H2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.083
_cell_length_c   10.527
_cell_angle_alpha   87.932
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.862
_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
  Cu  Cu0  1  0.500  0.998  0.750  1.0
  Cu  Cu1  1  1.000  0.002  0.250  1.0
  Cu  Cu2  1  0.002  0.254  0.666  1.0
  Cu  Cu3  1  0.502  0.746  0.334  1.0
  Cu  Cu4  1  0.999  0.748  0.834  1.0
  Cu  Cu5  1  0.499  0.252  0.166  1.0
  H  H6  1  0.697  0.177  0.380  1.0
  H  H7  1  0.197  0.823  0.620  1.0
  H  H8  1  0.298  0.816  0.124  1.0
  H  H9  1  0.798  0.184  0.876  1.0
  C  C10  1  0.198  0.331  0.432  1.0
  C  C11  1  0.698  0.669  0.568  1.0
  C  C12  1  0.803  0.670  0.069  1.0
  C  C13  1  0.303  0.330  0.931  1.0
  O  O14  1  0.098  0.107  0.417  1.0
  O  O15  1  0.598  0.893  0.583  1.0
  O  O16  1  0.905  0.893  0.083  1.0
  O  O17  1  0.405  0.107  0.917  1.0
  O  O18  1  0.686  0.068  0.305  1.0
  O  O19  1  0.186  0.932  0.695  1.0
  O  O20  1  0.313  0.925  0.199  1.0
  O  O21  1  0.813  0.075  0.801  1.0
  O  O22  1  0.293  0.451  0.335  1.0
  O  O23  1  0.793  0.549  0.665  1.0
  O  O24  1  0.710  0.548  0.166  1.0
  O  O25  1  0.210  0.452  0.834  1.0
  O  O26  1  0.202  0.431  0.543  1.0
  O  O27  1  0.702  0.569  0.457  1.0
  O  O28  1  0.797  0.572  0.957  1.0
  O  O29  1  0.297  0.428  0.043  1.0
[/CIF]
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The crystal structure described by Cu3H2(CO4)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form edge-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form edge-sharing CuO5 square pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(2) atom. is represented by the CIF card [CIF]
data_Cu3H2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.083
_cell_length_c   10.527
_cell_angle_alpha   87.932
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.862
_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
  Cu  Cu0  1  0.500  0.998  0.750  1.0
  Cu  Cu1  1  1.000  0.002  0.250  1.0
  Cu  Cu2  1  0.002  0.254  0.666  1.0
  Cu  Cu3  1  0.502  0.746  0.334  1.0
  Cu  Cu4  1  0.999  0.748  0.834  1.0
  Cu  Cu5  1  0.499  0.252  0.166  1.0
  H  H6  1  0.697  0.177  0.380  1.0
  H  H7  1  0.197  0.823  0.620  1.0
  H  H8  1  0.298  0.816  0.124  1.0
  H  H9  1  0.798  0.184  0.876  1.0
  C  C10  1  0.198  0.331  0.432  1.0
  C  C11  1  0.698  0.669  0.568  1.0
  C  C12  1  0.803  0.670  0.069  1.0
  C  C13  1  0.303  0.330  0.931  1.0
  O  O14  1  0.098  0.107  0.417  1.0
  O  O15  1  0.598  0.893  0.583  1.0
  O  O16  1  0.905  0.893  0.083  1.0
  O  O17  1  0.405  0.107  0.917  1.0
  O  O18  1  0.686  0.068  0.305  1.0
  O  O19  1  0.186  0.932  0.695  1.0
  O  O20  1  0.313  0.925  0.199  1.0
  O  O21  1  0.813  0.075  0.801  1.0
  O  O22  1  0.293  0.451  0.335  1.0
  O  O23  1  0.793  0.549  0.665  1.0
  O  O24  1  0.710  0.548  0.166  1.0
  O  O25  1  0.210  0.452  0.834  1.0
  O  O26  1  0.202  0.431  0.543  1.0
  O  O27  1  0.702  0.569  0.457  1.0
  O  O28  1  0.797  0.572  0.957  1.0
  O  O29  1  0.297  0.428  0.043  1.0
[/CIF]
.