The compound described by Ca2NiWO6 crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2NiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.584
_cell_length_b   5.584
_cell_length_c   5.545
_cell_angle_alpha   60.280
_cell_angle_beta   60.280
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   123.548
_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
  Ca  Ca0  1  0.216  0.284  0.247  1.0
  Ca  Ca1  1  0.716  0.784  0.753  1.0
  Ni  Ni2  1  0.517  0.483  0.500  1.0
  W  W3  1  0.019  0.981  0.000  1.0
  O  O4  1  0.788  0.724  0.236  1.0
  O  O5  1  0.276  0.212  0.764  1.0
  O  O6  1  0.790  0.223  0.747  1.0
  O  O7  1  0.777  0.210  0.253  1.0
  O  O8  1  0.275  0.729  0.761  1.0
  O  O9  1  0.271  0.725  0.239  1.0
[/CIF]
.
The compound described by Ca2NiWO6 crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2NiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.584
_cell_length_b   5.584
_cell_length_c   5.545
_cell_angle_alpha   60.280
_cell_angle_beta   60.280
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   123.548
_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
  Ca  Ca0  1  0.216  0.284  0.247  1.0
  Ca  Ca1  1  0.716  0.784  0.753  1.0
  Ni  Ni2  1  0.517  0.483  0.500  1.0
  W  W3  1  0.019  0.981  0.000  1.0
  O  O4  1  0.788  0.724  0.236  1.0
  O  O5  1  0.276  0.212  0.764  1.0
  O  O6  1  0.790  0.223  0.747  1.0
  O  O7  1  0.777  0.210  0.253  1.0
  O  O8  1  0.275  0.729  0.761  1.0
  O  O9  1  0.271  0.725  0.239  1.0
[/CIF]
.