The structure described by CaWNiO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_CaNiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.242
_cell_length_c   9.111
_cell_angle_alpha   55.072
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.086
_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
  Ca  Ca0  1  0.697  0.763  0.749  1.0
  Ca  Ca1  1  0.303  0.763  0.249  1.0
  Ni  Ni2  1  0.748  0.001  0.001  1.0
  Ni  Ni3  1  0.252  0.001  0.501  1.0
  W  W4  1  0.236  0.501  1.000  1.0
  W  W5  1  0.764  0.501  0.500  1.0
  O  O6  1  0.741  0.672  0.246  1.0
  O  O7  1  0.239  0.324  0.253  1.0
  O  O8  1  0.761  0.324  0.753  1.0
  O  O9  1  0.259  0.672  0.746  1.0
  O  O10  1  0.541  0.250  0.040  1.0
  O  O11  1  0.044  0.757  0.458  1.0
  O  O12  1  0.956  0.757  0.958  1.0
  O  O13  1  0.459  0.250  0.540  1.0
  O  O14  1  0.460  0.833  0.962  1.0
  O  O15  1  0.963  0.164  0.539  1.0
  O  O16  1  0.037  0.164  0.039  1.0
  O  O17  1  0.540  0.833  0.462  1.0
[/CIF]
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The structure described by CaWNiO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_CaNiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.242
_cell_length_c   9.111
_cell_angle_alpha   55.072
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.086
_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
  Ca  Ca0  1  0.697  0.763  0.749  1.0
  Ca  Ca1  1  0.303  0.763  0.249  1.0
  Ni  Ni2  1  0.748  0.001  0.001  1.0
  Ni  Ni3  1  0.252  0.001  0.501  1.0
  W  W4  1  0.236  0.501  1.000  1.0
  W  W5  1  0.764  0.501  0.500  1.0
  O  O6  1  0.741  0.672  0.246  1.0
  O  O7  1  0.239  0.324  0.253  1.0
  O  O8  1  0.761  0.324  0.753  1.0
  O  O9  1  0.259  0.672  0.746  1.0
  O  O10  1  0.541  0.250  0.040  1.0
  O  O11  1  0.044  0.757  0.458  1.0
  O  O12  1  0.956  0.757  0.958  1.0
  O  O13  1  0.459  0.250  0.540  1.0
  O  O14  1  0.460  0.833  0.962  1.0
  O  O15  1  0.963  0.164  0.539  1.0
  O  O16  1  0.037  0.164  0.039  1.0
  O  O17  1  0.540  0.833  0.462  1.0
[/CIF]
.