The material described by Ni5O11 crystallizes in the triclinic P-1 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing NiO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), and one O(6) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent O(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni5O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.909
_cell_length_b   7.528
_cell_length_c   6.337
_cell_angle_alpha   121.302
_cell_angle_beta   74.705
_cell_angle_gamma   109.258
_symmetry_Int_Tables_number   1
_cell_volume   187.653
_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
  Ni  Ni0  1  0.804  0.602  0.007  1.0
  Ni  Ni1  1  0.602  0.202  0.996  1.0
  Ni  Ni2  1  0.400  0.800  0.000  1.0
  Ni  Ni3  1  0.198  0.398  0.004  1.0
  Ni  Ni4  1  0.996  0.998  0.993  1.0
  O  O5  1  0.156  0.527  0.832  1.0
  O  O6  1  0.956  0.130  0.819  1.0
  O  O7  1  0.756  0.723  0.827  1.0
  O  O8  1  0.558  0.334  0.829  1.0
  O  O9  1  0.355  0.937  0.808  1.0
  O  O10  1  0.242  0.266  0.171  1.0
  O  O11  1  0.044  0.877  0.173  1.0
  O  O12  1  0.844  0.470  0.181  1.0
  O  O13  1  0.644  0.073  0.168  1.0
  O  O14  1  0.445  0.663  0.192  1.0
  O  O15  1  0.400  0.800  0.500  1.0
[/CIF]
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The material described by Ni5O11 crystallizes in the triclinic P-1 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing NiO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), and one O(6) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent O(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni5O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.909
_cell_length_b   7.528
_cell_length_c   6.337
_cell_angle_alpha   121.302
_cell_angle_beta   74.705
_cell_angle_gamma   109.258
_symmetry_Int_Tables_number   1
_cell_volume   187.653
_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
  Ni  Ni0  1  0.804  0.602  0.007  1.0
  Ni  Ni1  1  0.602  0.202  0.996  1.0
  Ni  Ni2  1  0.400  0.800  0.000  1.0
  Ni  Ni3  1  0.198  0.398  0.004  1.0
  Ni  Ni4  1  0.996  0.998  0.993  1.0
  O  O5  1  0.156  0.527  0.832  1.0
  O  O6  1  0.956  0.130  0.819  1.0
  O  O7  1  0.756  0.723  0.827  1.0
  O  O8  1  0.558  0.334  0.829  1.0
  O  O9  1  0.355  0.937  0.808  1.0
  O  O10  1  0.242  0.266  0.171  1.0
  O  O11  1  0.044  0.877  0.173  1.0
  O  O12  1  0.844  0.470  0.181  1.0
  O  O13  1  0.644  0.073  0.168  1.0
  O  O14  1  0.445  0.663  0.192  1.0
  O  O15  1  0.400  0.800  0.500  1.0
[/CIF]
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