The compound described by NiCO4 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted edge-sharing NiO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 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 O(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.024
_cell_length_b   3.150
_cell_length_c   9.244
_cell_angle_alpha   87.891
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.593
_cell_formula_units_Z   4
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  0.708  0.730  0.897  1.0
  Ni  Ni1  1  0.792  0.730  0.397  1.0
  Ni  Ni2  1  0.208  0.270  0.603  1.0
  Ni  Ni3  1  0.292  0.270  0.103  1.0
  C  C4  1  0.379  0.765  0.831  1.0
  C  C5  1  0.121  0.765  0.331  1.0
  C  C6  1  0.879  0.235  0.669  1.0
  C  C7  1  0.621  0.235  0.169  1.0
  O  O8  1  0.513  0.755  0.797  1.0
  O  O9  1  0.987  0.755  0.297  1.0
  O  O10  1  0.548  0.636  0.511  1.0
  O  O11  1  0.334  0.779  0.966  1.0
  O  O12  1  0.276  0.760  0.730  1.0
  O  O13  1  0.952  0.636  0.011  1.0
  O  O14  1  0.166  0.779  0.466  1.0
  O  O15  1  0.224  0.760  0.230  1.0
  O  O16  1  0.776  0.240  0.770  1.0
  O  O17  1  0.834  0.221  0.534  1.0
  O  O18  1  0.048  0.364  0.989  1.0
  O  O19  1  0.724  0.240  0.270  1.0
  O  O20  1  0.666  0.221  0.034  1.0
  O  O21  1  0.452  0.364  0.489  1.0
  O  O22  1  0.013  0.245  0.703  1.0
  O  O23  1  0.487  0.245  0.203  1.0
[/CIF]
.
The compound described by NiCO4 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted edge-sharing NiO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 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 O(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.024
_cell_length_b   3.150
_cell_length_c   9.244
_cell_angle_alpha   87.891
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.593
_cell_formula_units_Z   4
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  0.708  0.730  0.897  1.0
  Ni  Ni1  1  0.792  0.730  0.397  1.0
  Ni  Ni2  1  0.208  0.270  0.603  1.0
  Ni  Ni3  1  0.292  0.270  0.103  1.0
  C  C4  1  0.379  0.765  0.831  1.0
  C  C5  1  0.121  0.765  0.331  1.0
  C  C6  1  0.879  0.235  0.669  1.0
  C  C7  1  0.621  0.235  0.169  1.0
  O  O8  1  0.513  0.755  0.797  1.0
  O  O9  1  0.987  0.755  0.297  1.0
  O  O10  1  0.548  0.636  0.511  1.0
  O  O11  1  0.334  0.779  0.966  1.0
  O  O12  1  0.276  0.760  0.730  1.0
  O  O13  1  0.952  0.636  0.011  1.0
  O  O14  1  0.166  0.779  0.466  1.0
  O  O15  1  0.224  0.760  0.230  1.0
  O  O16  1  0.776  0.240  0.770  1.0
  O  O17  1  0.834  0.221  0.534  1.0
  O  O18  1  0.048  0.364  0.989  1.0
  O  O19  1  0.724  0.240  0.270  1.0
  O  O20  1  0.666  0.221  0.034  1.0
  O  O21  1  0.452  0.364  0.489  1.0
  O  O22  1  0.013  0.245  0.703  1.0
  O  O23  1  0.487  0.245  0.203  1.0
[/CIF]
.