The material described by CaLaWFeO6 crystallizes in the triclinic P1 space group. There are two 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(12), one O(2), one O(4), one O(6), 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(1), one O(10), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(12), 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 Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-36°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-35°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 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 31-35°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 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 30-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one La(2), one W(2), and one Fe(1) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one La(1), one W(1), and one Fe(2) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one W(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one W(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one W(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Ca(2), one La(2), one W(1), and one Fe(2) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the eighth O site, O(8) is bonded to one Ca(1), one La(1), one W(2), and one Fe(1) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one W(1), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one W(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one W(2), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one W(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_CaLaFeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.617
_cell_length_b   8.001
_cell_length_c   5.800
_cell_angle_alpha   89.809
_cell_angle_beta   91.523
_cell_angle_gamma   89.272
_symmetry_Int_Tables_number   1
_cell_volume   260.549
_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  0.526  0.252  0.553  1.0
  Ca  Ca1  1  0.018  0.753  0.947  1.0
  La  La2  1  0.984  0.247  0.048  1.0
  La  La3  1  0.475  0.748  0.451  1.0
  Fe  Fe4  1  0.499  0.500  0.001  1.0
  Fe  Fe5  1  0.997  0.000  0.500  1.0
  W  W6  1  1.000  0.499  0.503  1.0
  W  W7  1  0.501  0.998  0.997  1.0
  O  O8  1  0.606  0.766  0.031  1.0
  O  O9  1  0.107  0.267  0.470  1.0
  O  O10  1  0.212  0.949  0.193  1.0
  O  O11  1  0.705  0.449  0.300  1.0
  O  O12  1  0.192  0.562  0.219  1.0
  O  O13  1  0.700  0.059  0.288  1.0
  O  O14  1  0.899  0.733  0.537  1.0
  O  O15  1  0.402  0.234  0.963  1.0
  O  O16  1  0.292  0.552  0.708  1.0
  O  O17  1  0.787  0.051  0.800  1.0
  O  O18  1  0.296  0.942  0.710  1.0
  O  O19  1  0.803  0.439  0.783  1.0
[/CIF]
.
The material described by CaLaWFeO6 crystallizes in the triclinic P1 space group. There are two 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(12), one O(2), one O(4), one O(6), 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(1), one O(10), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(12), 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 Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-36°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-35°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 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 31-35°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 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 30-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one La(2), one W(2), and one Fe(1) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one La(1), one W(1), and one Fe(2) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one W(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one W(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one W(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Ca(2), one La(2), one W(1), and one Fe(2) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the eighth O site, O(8) is bonded to one Ca(1), one La(1), one W(2), and one Fe(1) atom to form distorted corner-sharing OCaLaFeW tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one W(1), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one W(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one W(2), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one W(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_CaLaFeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.617
_cell_length_b   8.001
_cell_length_c   5.800
_cell_angle_alpha   89.809
_cell_angle_beta   91.523
_cell_angle_gamma   89.272
_symmetry_Int_Tables_number   1
_cell_volume   260.549
_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  0.526  0.252  0.553  1.0
  Ca  Ca1  1  0.018  0.753  0.947  1.0
  La  La2  1  0.984  0.247  0.048  1.0
  La  La3  1  0.475  0.748  0.451  1.0
  Fe  Fe4  1  0.499  0.500  0.001  1.0
  Fe  Fe5  1  0.997  0.000  0.500  1.0
  W  W6  1  1.000  0.499  0.503  1.0
  W  W7  1  0.501  0.998  0.997  1.0
  O  O8  1  0.606  0.766  0.031  1.0
  O  O9  1  0.107  0.267  0.470  1.0
  O  O10  1  0.212  0.949  0.193  1.0
  O  O11  1  0.705  0.449  0.300  1.0
  O  O12  1  0.192  0.562  0.219  1.0
  O  O13  1  0.700  0.059  0.288  1.0
  O  O14  1  0.899  0.733  0.537  1.0
  O  O15  1  0.402  0.234  0.963  1.0
  O  O16  1  0.292  0.552  0.708  1.0
  O  O17  1  0.787  0.051  0.800  1.0
  O  O18  1  0.296  0.942  0.710  1.0
  O  O19  1  0.803  0.439  0.783  1.0
[/CIF]
.