The material described by Ca3Ni2(WO6)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(3), one W(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(3), one W(1), and one Ni(2) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), one W(2), and one Ni(1) atom to form distorted OCa2NiW tetrahedra that share corners with three equivalent O(8)Ca3NiW square pyramids, corners with two equivalent O(4)Ca2NiW tetrahedra, corners with three equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(10)Ca2NiW trigonal pyramid,  a cornercorner with one O(7)Ca2NiW trigonal pyramid,  an edgeedge with one O(10)Ca2NiW trigonal pyramid,  an edgeedge with one O(11)Ca2NiW trigonal pyramid,  an edgeedge with one O(6)Ca2NiW trigonal pyramid, and  an edgeedge with one O(7)Ca2NiW trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), one W(1), and one Ni(2) atom to form distorted OCa2NiW tetrahedra that share  a cornercorner with one O(8)Ca3NiW square pyramid, corners with two equivalent O(3)Ca2NiW tetrahedra,  a cornercorner with one O(9)Ca3NiW trigonal bipyramid, corners with three equivalent O(10)Ca2NiW trigonal pyramids, corners with three equivalent O(7)Ca2NiW trigonal pyramids,  an edgeedge with one O(8)Ca3NiW square pyramid,  an edgeedge with one O(9)Ca3NiW trigonal bipyramid,  an edgeedge with one O(11)Ca2NiW trigonal pyramid, and  an edgeedge with one O(6)Ca2NiW trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(3), one W(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(3), one W(2), and one Ni(2) atom to form distorted OCa2NiW trigonal pyramids that share corners with two equivalent O(8)Ca3NiW square pyramids, corners with two equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(10)Ca2NiW trigonal pyramid,  a cornercorner with one O(7)Ca2NiW trigonal pyramid, corners with two equivalent O(11)Ca2NiW trigonal pyramids,  an edgeedge with one O(8)Ca3NiW square pyramid,  an edgeedge with one O(3)Ca2NiW tetrahedra,  an edgeedge with one O(4)Ca2NiW tetrahedra, and  an edgeedge with one O(10)Ca2NiW trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one W(1), and one Ni(1) atom to form distorted OCa2NiW trigonal pyramids that share corners with two equivalent O(8)Ca3NiW square pyramids,  a cornercorner with one O(3)Ca2NiW tetrahedra, corners with three equivalent O(4)Ca2NiW tetrahedra,  a cornercorner with one O(11)Ca2NiW trigonal pyramid,  a cornercorner with one O(6)Ca2NiW trigonal pyramid,  an edgeedge with one O(3)Ca2NiW tetrahedra, edges with two equivalent O(9)Ca3NiW trigonal bipyramids,  an edgeedge with one O(10)Ca2NiW trigonal pyramid, and  an edgeedge with one O(11)Ca2NiW trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one Ca(3), one W(2), and one Ni(2) atom to form distorted OCa3NiW square pyramids that share  a cornercorner with one O(4)Ca2NiW tetrahedra, corners with three equivalent O(3)Ca2NiW tetrahedra,  a cornercorner with one O(9)Ca3NiW trigonal bipyramid, corners with two equivalent O(11)Ca2NiW trigonal pyramids, corners with two equivalent O(6)Ca2NiW trigonal pyramids, corners with two equivalent O(7)Ca2NiW trigonal pyramids,  an edgeedge with one O(4)Ca2NiW tetrahedra,  an edgeedge with one O(9)Ca3NiW trigonal bipyramid,  an edgeedge with one O(6)Ca2NiW trigonal pyramid, and edges with two equivalent O(10)Ca2NiW trigonal pyramids. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Ca(3), one W(1), and one Ni(1) atom to form distorted OCa3NiW trigonal bipyramids that share  a cornercorner with one O(8)Ca3NiW square pyramid,  a cornercorner with one O(4)Ca2NiW tetrahedra, corners with three equivalent O(3)Ca2NiW tetrahedra, corners with two equivalent O(10)Ca2NiW trigonal pyramids, corners with two equivalent O(11)Ca2NiW trigonal pyramids, corners with two equivalent O(6)Ca2NiW trigonal pyramids,  an edgeedge with one O(8)Ca3NiW square pyramid,  an edgeedge with one O(4)Ca2NiW tetrahedra,  an edgeedge with one O(11)Ca2NiW trigonal pyramid, and edges with two equivalent O(7)Ca2NiW trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1), one Ca(2), one W(2), and one Ni(2) atom to form distorted OCa2NiW trigonal pyramids that share  a cornercorner with one O(3)Ca2NiW tetrahedra, corners with three equivalent O(4)Ca2NiW tetrahedra, corners with two equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(11)Ca2NiW trigonal pyramid,  a cornercorner with one O(6)Ca2NiW trigonal pyramid, edges with two equivalent O(8)Ca3NiW square pyramids,  an edgeedge with one O(3)Ca2NiW tetrahedra,  an edgeedge with one O(6)Ca2NiW trigonal pyramid, and  an edgeedge with one O(7)Ca2NiW trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ca(1), one Ca(3), one W(1), and one Ni(1) atom to form distorted OCa2NiW trigonal pyramids that share corners with two equivalent O(8)Ca3NiW square pyramids, corners with two equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(10)Ca2NiW trigonal pyramid,  a cornercorner with one O(7)Ca2NiW trigonal pyramid, corners with two equivalent O(6)Ca2NiW trigonal pyramids,  an edgeedge with one O(3)Ca2NiW tetrahedra,  an edgeedge with one O(4)Ca2NiW tetrahedra,  an edgeedge with one O(9)Ca3NiW trigonal bipyramid, and  an edgeedge with one O(7)Ca2NiW trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(3), one W(2), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ca3Ni2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   5.549
_cell_length_c   7.681
_cell_angle_alpha   89.841
_cell_angle_beta   89.931
_cell_angle_gamma   88.738
_symmetry_Int_Tables_number   1
_cell_volume   232.389
_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  0.995  0.955  0.750  1.0
  Ca  Ca1  1  0.515  0.447  0.748  1.0
  Ca  Ca2  1  0.009  0.047  0.248  1.0
  Ni  Ni3  1  0.002  0.497  0.999  1.0
  Ni  Ni4  1  0.500  0.995  0.500  1.0
  W  W5  1  0.506  0.982  0.009  1.0
  W  W6  1  0.001  0.505  0.490  1.0
  O  O7  1  0.928  0.489  0.252  1.0
  O  O8  1  0.583  0.973  0.247  1.0
  O  O9  1  0.089  0.515  0.746  1.0
  O  O10  1  0.417  0.032  0.756  1.0
  O  O11  1  0.292  0.274  0.036  1.0
  O  O12  1  0.185  0.798  0.470  1.0
  O  O13  1  0.706  0.715  0.941  1.0
  O  O14  1  0.800  0.222  0.544  1.0
  O  O15  1  0.782  0.195  0.961  1.0
  O  O16  1  0.720  0.710  0.558  1.0
  O  O17  1  0.205  0.807  0.030  1.0
  O  O18  1  0.280  0.290  0.461  1.0
[/CIF]
.
The material described by Ca3Ni2(WO6)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(3), one W(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(3), one W(1), and one Ni(2) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), one W(2), and one Ni(1) atom to form distorted OCa2NiW tetrahedra that share corners with three equivalent O(8)Ca3NiW square pyramids, corners with two equivalent O(4)Ca2NiW tetrahedra, corners with three equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(10)Ca2NiW trigonal pyramid,  a cornercorner with one O(7)Ca2NiW trigonal pyramid,  an edgeedge with one O(10)Ca2NiW trigonal pyramid,  an edgeedge with one O(11)Ca2NiW trigonal pyramid,  an edgeedge with one O(6)Ca2NiW trigonal pyramid, and  an edgeedge with one O(7)Ca2NiW trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), one W(1), and one Ni(2) atom to form distorted OCa2NiW tetrahedra that share  a cornercorner with one O(8)Ca3NiW square pyramid, corners with two equivalent O(3)Ca2NiW tetrahedra,  a cornercorner with one O(9)Ca3NiW trigonal bipyramid, corners with three equivalent O(10)Ca2NiW trigonal pyramids, corners with three equivalent O(7)Ca2NiW trigonal pyramids,  an edgeedge with one O(8)Ca3NiW square pyramid,  an edgeedge with one O(9)Ca3NiW trigonal bipyramid,  an edgeedge with one O(11)Ca2NiW trigonal pyramid, and  an edgeedge with one O(6)Ca2NiW trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(3), one W(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(3), one W(2), and one Ni(2) atom to form distorted OCa2NiW trigonal pyramids that share corners with two equivalent O(8)Ca3NiW square pyramids, corners with two equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(10)Ca2NiW trigonal pyramid,  a cornercorner with one O(7)Ca2NiW trigonal pyramid, corners with two equivalent O(11)Ca2NiW trigonal pyramids,  an edgeedge with one O(8)Ca3NiW square pyramid,  an edgeedge with one O(3)Ca2NiW tetrahedra,  an edgeedge with one O(4)Ca2NiW tetrahedra, and  an edgeedge with one O(10)Ca2NiW trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one W(1), and one Ni(1) atom to form distorted OCa2NiW trigonal pyramids that share corners with two equivalent O(8)Ca3NiW square pyramids,  a cornercorner with one O(3)Ca2NiW tetrahedra, corners with three equivalent O(4)Ca2NiW tetrahedra,  a cornercorner with one O(11)Ca2NiW trigonal pyramid,  a cornercorner with one O(6)Ca2NiW trigonal pyramid,  an edgeedge with one O(3)Ca2NiW tetrahedra, edges with two equivalent O(9)Ca3NiW trigonal bipyramids,  an edgeedge with one O(10)Ca2NiW trigonal pyramid, and  an edgeedge with one O(11)Ca2NiW trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one Ca(3), one W(2), and one Ni(2) atom to form distorted OCa3NiW square pyramids that share  a cornercorner with one O(4)Ca2NiW tetrahedra, corners with three equivalent O(3)Ca2NiW tetrahedra,  a cornercorner with one O(9)Ca3NiW trigonal bipyramid, corners with two equivalent O(11)Ca2NiW trigonal pyramids, corners with two equivalent O(6)Ca2NiW trigonal pyramids, corners with two equivalent O(7)Ca2NiW trigonal pyramids,  an edgeedge with one O(4)Ca2NiW tetrahedra,  an edgeedge with one O(9)Ca3NiW trigonal bipyramid,  an edgeedge with one O(6)Ca2NiW trigonal pyramid, and edges with two equivalent O(10)Ca2NiW trigonal pyramids. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Ca(3), one W(1), and one Ni(1) atom to form distorted OCa3NiW trigonal bipyramids that share  a cornercorner with one O(8)Ca3NiW square pyramid,  a cornercorner with one O(4)Ca2NiW tetrahedra, corners with three equivalent O(3)Ca2NiW tetrahedra, corners with two equivalent O(10)Ca2NiW trigonal pyramids, corners with two equivalent O(11)Ca2NiW trigonal pyramids, corners with two equivalent O(6)Ca2NiW trigonal pyramids,  an edgeedge with one O(8)Ca3NiW square pyramid,  an edgeedge with one O(4)Ca2NiW tetrahedra,  an edgeedge with one O(11)Ca2NiW trigonal pyramid, and edges with two equivalent O(7)Ca2NiW trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1), one Ca(2), one W(2), and one Ni(2) atom to form distorted OCa2NiW trigonal pyramids that share  a cornercorner with one O(3)Ca2NiW tetrahedra, corners with three equivalent O(4)Ca2NiW tetrahedra, corners with two equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(11)Ca2NiW trigonal pyramid,  a cornercorner with one O(6)Ca2NiW trigonal pyramid, edges with two equivalent O(8)Ca3NiW square pyramids,  an edgeedge with one O(3)Ca2NiW tetrahedra,  an edgeedge with one O(6)Ca2NiW trigonal pyramid, and  an edgeedge with one O(7)Ca2NiW trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ca(1), one Ca(3), one W(1), and one Ni(1) atom to form distorted OCa2NiW trigonal pyramids that share corners with two equivalent O(8)Ca3NiW square pyramids, corners with two equivalent O(9)Ca3NiW trigonal bipyramids,  a cornercorner with one O(10)Ca2NiW trigonal pyramid,  a cornercorner with one O(7)Ca2NiW trigonal pyramid, corners with two equivalent O(6)Ca2NiW trigonal pyramids,  an edgeedge with one O(3)Ca2NiW tetrahedra,  an edgeedge with one O(4)Ca2NiW tetrahedra,  an edgeedge with one O(9)Ca3NiW trigonal bipyramid, and  an edgeedge with one O(7)Ca2NiW trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(3), one W(2), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ca3Ni2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   5.549
_cell_length_c   7.681
_cell_angle_alpha   89.841
_cell_angle_beta   89.931
_cell_angle_gamma   88.738
_symmetry_Int_Tables_number   1
_cell_volume   232.389
_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  0.995  0.955  0.750  1.0
  Ca  Ca1  1  0.515  0.447  0.748  1.0
  Ca  Ca2  1  0.009  0.047  0.248  1.0
  Ni  Ni3  1  0.002  0.497  0.999  1.0
  Ni  Ni4  1  0.500  0.995  0.500  1.0
  W  W5  1  0.506  0.982  0.009  1.0
  W  W6  1  0.001  0.505  0.490  1.0
  O  O7  1  0.928  0.489  0.252  1.0
  O  O8  1  0.583  0.973  0.247  1.0
  O  O9  1  0.089  0.515  0.746  1.0
  O  O10  1  0.417  0.032  0.756  1.0
  O  O11  1  0.292  0.274  0.036  1.0
  O  O12  1  0.185  0.798  0.470  1.0
  O  O13  1  0.706  0.715  0.941  1.0
  O  O14  1  0.800  0.222  0.544  1.0
  O  O15  1  0.782  0.195  0.961  1.0
  O  O16  1  0.720  0.710  0.558  1.0
  O  O17  1  0.205  0.807  0.030  1.0
  O  O18  1  0.280  0.290  0.461  1.0
[/CIF]
.