The compound described by NiH3(CO2)3NH4 crystallizes in the monoclinic C2 space group. The structure consists of four ammonium molecules inside a NiH3(CO2)3 framework. In the NiH3(CO2)3 framework, Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2) and two equivalent O(2) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(4), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4) and two equivalent O(5) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiH7C3NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.392
_cell_length_b   7.471
_cell_length_c   8.022
_cell_angle_alpha   91.031
_cell_angle_beta   90.000
_cell_angle_gamma   60.349
_symmetry_Int_Tables_number   1
_cell_volume   384.928
_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
  Ni  Ni0  1  0.668  0.666  0.251  1.0
  Ni  Ni1  1  0.334  0.334  0.749  1.0
  H  H2  1  0.589  0.410  0.498  1.0
  H  H3  1  0.410  0.000  0.500  1.0
  H  H4  1  0.999  0.590  0.502  1.0
  H  H5  1  0.409  0.590  0.999  1.0
  H  H6  1  0.587  0.000  0.000  1.0
  H  H7  1  0.999  0.410  0.001  1.0
  H  H8  1  0.982  0.913  0.346  1.0
  H  H9  1  0.934  0.149  0.288  1.0
  H  H10  1  0.895  0.087  0.654  1.0
  H  H11  1  0.083  0.851  0.712  1.0
  H  H12  1  0.891  0.021  0.845  1.0
  H  H13  1  0.085  0.065  0.788  1.0
  H  H14  1  0.912  0.979  0.155  1.0
  H  H15  1  0.150  0.935  0.212  1.0
  C  C16  1  0.442  0.559  0.501  1.0
  C  C17  1  0.560  0.000  0.500  1.0
  C  C18  1  0.001  0.441  0.499  1.0
  C  C19  1  0.557  0.443  1.000  1.0
  C  C20  1  0.437  0.000  0.000  1.0
  C  C21  1  0.000  0.557  0.000  1.0
  N  N22  1  0.996  0.995  0.250  1.0
  N  N23  1  0.991  0.005  0.750  1.0
  O  O24  1  0.422  0.695  0.399  1.0
  O  O25  1  0.701  0.880  0.398  1.0
  O  O26  1  0.887  0.416  0.392  1.0
  O  O27  1  0.117  0.305  0.601  1.0
  O  O28  1  0.581  0.120  0.602  1.0
  O  O29  1  0.304  0.584  0.608  1.0
  O  O30  1  0.579  0.302  0.897  1.0
  O  O31  1  0.302  0.111  0.894  1.0
  O  O32  1  0.119  0.577  0.897  1.0
  O  O33  1  0.881  0.698  0.103  1.0
  O  O34  1  0.413  0.889  0.106  1.0
  O  O35  1  0.696  0.423  0.103  1.0
[/CIF]
.
The compound described by NiH3(CO2)3NH4 crystallizes in the monoclinic C2 space group. The structure consists of four ammonium molecules inside a NiH3(CO2)3 framework. In the NiH3(CO2)3 framework, Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2) and two equivalent O(2) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(4), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4) and two equivalent O(5) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiH7C3NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.392
_cell_length_b   7.471
_cell_length_c   8.022
_cell_angle_alpha   91.031
_cell_angle_beta   90.000
_cell_angle_gamma   60.349
_symmetry_Int_Tables_number   1
_cell_volume   384.928
_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
  Ni  Ni0  1  0.668  0.666  0.251  1.0
  Ni  Ni1  1  0.334  0.334  0.749  1.0
  H  H2  1  0.589  0.410  0.498  1.0
  H  H3  1  0.410  0.000  0.500  1.0
  H  H4  1  0.999  0.590  0.502  1.0
  H  H5  1  0.409  0.590  0.999  1.0
  H  H6  1  0.587  0.000  0.000  1.0
  H  H7  1  0.999  0.410  0.001  1.0
  H  H8  1  0.982  0.913  0.346  1.0
  H  H9  1  0.934  0.149  0.288  1.0
  H  H10  1  0.895  0.087  0.654  1.0
  H  H11  1  0.083  0.851  0.712  1.0
  H  H12  1  0.891  0.021  0.845  1.0
  H  H13  1  0.085  0.065  0.788  1.0
  H  H14  1  0.912  0.979  0.155  1.0
  H  H15  1  0.150  0.935  0.212  1.0
  C  C16  1  0.442  0.559  0.501  1.0
  C  C17  1  0.560  0.000  0.500  1.0
  C  C18  1  0.001  0.441  0.499  1.0
  C  C19  1  0.557  0.443  1.000  1.0
  C  C20  1  0.437  0.000  0.000  1.0
  C  C21  1  0.000  0.557  0.000  1.0
  N  N22  1  0.996  0.995  0.250  1.0
  N  N23  1  0.991  0.005  0.750  1.0
  O  O24  1  0.422  0.695  0.399  1.0
  O  O25  1  0.701  0.880  0.398  1.0
  O  O26  1  0.887  0.416  0.392  1.0
  O  O27  1  0.117  0.305  0.601  1.0
  O  O28  1  0.581  0.120  0.602  1.0
  O  O29  1  0.304  0.584  0.608  1.0
  O  O30  1  0.579  0.302  0.897  1.0
  O  O31  1  0.302  0.111  0.894  1.0
  O  O32  1  0.119  0.577  0.897  1.0
  O  O33  1  0.881  0.698  0.103  1.0
  O  O34  1  0.413  0.889  0.106  1.0
  O  O35  1  0.696  0.423  0.103  1.0
[/CIF]
.