The material described by Ca3Fe2(WO6)2 crystallizes in the trigonal R3m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form CaO12 cuboctahedra that share corners with six equivalent Ca(1)O12 cuboctahedra, faces with three equivalent Ca(2)O12 cuboctahedra, faces with three equivalent Ca(3)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. In the second Ca site, Ca(2) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(1) atoms to form distorted CaO12 cuboctahedra that share corners with six equivalent Ca(2)O12 cuboctahedra, corners with six equivalent Ca(3)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, faces with three equivalent W(2)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. In the third Ca site, Ca(3) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with six equivalent Ca(2)O12 cuboctahedra, corners with six equivalent Ca(3)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a faceface with one Ca(2)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and faces with three equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Ca(2), one W(2), and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa3FeW square pyramids. In the second O site, O(2) is bonded to one Ca(1), two equivalent Ca(3), one W(1), and one Fe(2) atom to form a mixture of distorted face, corner, and edge-sharing OCa3FeW square pyramids. In the third O site, O(3) is bonded in a distorted linear geometry to one Ca(2), one Ca(3), two equivalent Ca(1), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(3), one W(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Ca3Fe2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.552
_cell_length_c   9.622
_cell_angle_alpha   73.226
_cell_angle_beta   89.996
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   242.165
_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  0.620  0.239  0.141  1.0
  Ca  Ca1  1  0.869  0.737  0.394  1.0
  Ca  Ca2  1  0.376  0.752  0.873  1.0
  Fe  Fe3  1  0.247  0.495  0.258  1.0
  Fe  Fe4  1  0.751  0.502  0.746  1.0
  W  W5  1  0.001  0.003  0.996  1.0
  W  W6  1  0.498  0.997  0.505  1.0
  O  O7  1  0.387  0.248  0.365  1.0
  O  O8  1  0.860  0.247  0.365  1.0
  O  O9  1  0.387  0.775  0.365  1.0
  O  O10  1  0.870  0.247  0.882  1.0
  O  O11  1  0.377  0.247  0.882  1.0
  O  O12  1  0.870  0.741  0.883  1.0
  O  O13  1  0.629  0.754  0.121  1.0
  O  O14  1  0.125  0.249  0.121  1.0
  O  O15  1  0.125  0.754  0.121  1.0
  O  O16  1  0.129  0.755  0.619  1.0
  O  O17  1  0.626  0.252  0.619  1.0
  O  O18  1  0.626  0.755  0.619  1.0
[/CIF]
.
The material described by Ca3Fe2(WO6)2 crystallizes in the trigonal R3m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form CaO12 cuboctahedra that share corners with six equivalent Ca(1)O12 cuboctahedra, faces with three equivalent Ca(2)O12 cuboctahedra, faces with three equivalent Ca(3)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. In the second Ca site, Ca(2) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(1) atoms to form distorted CaO12 cuboctahedra that share corners with six equivalent Ca(2)O12 cuboctahedra, corners with six equivalent Ca(3)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, faces with three equivalent W(2)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. In the third Ca site, Ca(3) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with six equivalent Ca(2)O12 cuboctahedra, corners with six equivalent Ca(3)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a faceface with one Ca(2)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ca(3)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with three equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and faces with three equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Ca(2), one W(2), and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa3FeW square pyramids. In the second O site, O(2) is bonded to one Ca(1), two equivalent Ca(3), one W(1), and one Fe(2) atom to form a mixture of distorted face, corner, and edge-sharing OCa3FeW square pyramids. In the third O site, O(3) is bonded in a distorted linear geometry to one Ca(2), one Ca(3), two equivalent Ca(1), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(3), one W(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Ca3Fe2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.552
_cell_length_c   9.622
_cell_angle_alpha   73.226
_cell_angle_beta   89.996
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   242.165
_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  0.620  0.239  0.141  1.0
  Ca  Ca1  1  0.869  0.737  0.394  1.0
  Ca  Ca2  1  0.376  0.752  0.873  1.0
  Fe  Fe3  1  0.247  0.495  0.258  1.0
  Fe  Fe4  1  0.751  0.502  0.746  1.0
  W  W5  1  0.001  0.003  0.996  1.0
  W  W6  1  0.498  0.997  0.505  1.0
  O  O7  1  0.387  0.248  0.365  1.0
  O  O8  1  0.860  0.247  0.365  1.0
  O  O9  1  0.387  0.775  0.365  1.0
  O  O10  1  0.870  0.247  0.882  1.0
  O  O11  1  0.377  0.247  0.882  1.0
  O  O12  1  0.870  0.741  0.883  1.0
  O  O13  1  0.629  0.754  0.121  1.0
  O  O14  1  0.125  0.249  0.121  1.0
  O  O15  1  0.125  0.754  0.121  1.0
  O  O16  1  0.129  0.755  0.619  1.0
  O  O17  1  0.626  0.252  0.619  1.0
  O  O18  1  0.626  0.755  0.619  1.0
[/CIF]
.