The structure described by Cu2NH3O5 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form distorted edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted edge-sharing CuO6 octahedra. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(3), one O(4), one O(7), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one O(5) and one O(9) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one O(10) and one O(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(10) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(7) and one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(4), and one H(1) atom. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), one Cu(4), and one H(2) atom to form distorted corner-sharing OCu3H tetrahedra. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cu(1), one Cu(3), one Cu(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cu(1) and one N(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cu(2) and one N(2) atom. In the seventh O site, O(7) is bonded to one Cu(1), one Cu(2), one Cu(3), and one H(5) atom to form distorted corner-sharing OCu3H tetrahedra. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(6) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one N(1) and one H(5) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one N(2) and one H(2) atom. is represented by the CIF card [CIF]
data_Cu2H3NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.101
_cell_length_c   6.729
_cell_angle_alpha   89.843
_cell_angle_beta   80.697
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   233.366
_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  0.502  0.260  0.002  1.0
  Cu  Cu1  1  0.498  0.760  0.998  1.0
  Cu  Cu2  1  0.000  0.009  0.005  1.0
  Cu  Cu3  1  0.000  0.509  0.994  1.0
  H  H4  1  0.401  0.516  0.733  1.0
  H  H5  1  0.640  0.531  0.268  1.0
  H  H6  1  0.006  0.248  0.709  1.0
  H  H7  1  0.994  0.747  0.290  1.0
  H  H8  1  0.361  0.032  0.732  1.0
  H  H9  1  0.600  0.015  0.267  1.0
  N  N10  1  0.197  0.197  0.467  1.0
  N  N11  1  0.803  0.697  0.533  1.0
  O  O12  1  0.341  0.506  0.880  1.0
  O  O13  1  0.663  0.514  0.116  1.0
  O  O14  1  0.919  0.256  0.850  1.0
  O  O15  1  0.081  0.755  0.149  1.0
  O  O16  1  0.174  0.252  0.291  1.0
  O  O17  1  0.825  0.753  0.708  1.0
  O  O18  1  0.338  0.015  0.883  1.0
  O  O19  1  0.659  0.005  0.120  1.0
  O  O20  1  0.383  0.090  0.487  1.0
  O  O21  1  0.617  0.589  0.513  1.0
[/CIF]
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The structure described by Cu2NH3O5 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form distorted edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted edge-sharing CuO6 octahedra. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(3), one O(4), one O(7), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one O(5) and one O(9) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one O(10) and one O(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(10) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(7) and one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(4), and one H(1) atom. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), one Cu(4), and one H(2) atom to form distorted corner-sharing OCu3H tetrahedra. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cu(1), one Cu(3), one Cu(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cu(1) and one N(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cu(2) and one N(2) atom. In the seventh O site, O(7) is bonded to one Cu(1), one Cu(2), one Cu(3), and one H(5) atom to form distorted corner-sharing OCu3H tetrahedra. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(6) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one N(1) and one H(5) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one N(2) and one H(2) atom. is represented by the CIF card [CIF]
data_Cu2H3NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.101
_cell_length_c   6.729
_cell_angle_alpha   89.843
_cell_angle_beta   80.697
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   233.366
_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  0.502  0.260  0.002  1.0
  Cu  Cu1  1  0.498  0.760  0.998  1.0
  Cu  Cu2  1  0.000  0.009  0.005  1.0
  Cu  Cu3  1  0.000  0.509  0.994  1.0
  H  H4  1  0.401  0.516  0.733  1.0
  H  H5  1  0.640  0.531  0.268  1.0
  H  H6  1  0.006  0.248  0.709  1.0
  H  H7  1  0.994  0.747  0.290  1.0
  H  H8  1  0.361  0.032  0.732  1.0
  H  H9  1  0.600  0.015  0.267  1.0
  N  N10  1  0.197  0.197  0.467  1.0
  N  N11  1  0.803  0.697  0.533  1.0
  O  O12  1  0.341  0.506  0.880  1.0
  O  O13  1  0.663  0.514  0.116  1.0
  O  O14  1  0.919  0.256  0.850  1.0
  O  O15  1  0.081  0.755  0.149  1.0
  O  O16  1  0.174  0.252  0.291  1.0
  O  O17  1  0.825  0.753  0.708  1.0
  O  O18  1  0.338  0.015  0.883  1.0
  O  O19  1  0.659  0.005  0.120  1.0
  O  O20  1  0.383  0.090  0.487  1.0
  O  O21  1  0.617  0.589  0.513  1.0
[/CIF]
.