The material structure described by Ca2WCo crystallizes in the cubic F-43m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent W(1) atoms to form distorted CaW4 tetrahedra that share corners with twelve equivalent Ca(2)Co4W6 tetrahedra, corners with twelve equivalent Ca(1)W4 tetrahedra, and faces with four equivalent Ca(2)Co4W6 tetrahedra. In the second Ca site, Ca(2) is bonded to six equivalent W(1) and four equivalent Co(1) atoms to form distorted CaCo4W6 tetrahedra that share corners with six equivalent Ca(2)Co4W6 tetrahedra, corners with twelve equivalent Ca(1)W4 tetrahedra, faces with four equivalent Ca(1)W4 tetrahedra, and faces with twelve equivalent Ca(2)Co4W6 tetrahedra. W(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1), six equivalent Ca(2), and four equivalent Co(1) atoms. Co(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(2) and four equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Ca2CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.811
_cell_length_b   4.811
_cell_length_c   4.811
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.733
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.250  0.250  0.250  1.0
[/CIF]
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The material structure described by Ca2WCo crystallizes in the cubic F-43m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent W(1) atoms to form distorted CaW4 tetrahedra that share corners with twelve equivalent Ca(2)Co4W6 tetrahedra, corners with twelve equivalent Ca(1)W4 tetrahedra, and faces with four equivalent Ca(2)Co4W6 tetrahedra. In the second Ca site, Ca(2) is bonded to six equivalent W(1) and four equivalent Co(1) atoms to form distorted CaCo4W6 tetrahedra that share corners with six equivalent Ca(2)Co4W6 tetrahedra, corners with twelve equivalent Ca(1)W4 tetrahedra, faces with four equivalent Ca(1)W4 tetrahedra, and faces with twelve equivalent Ca(2)Co4W6 tetrahedra. W(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1), six equivalent Ca(2), and four equivalent Co(1) atoms. Co(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(2) and four equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Ca2CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.811
_cell_length_b   4.811
_cell_length_c   4.811
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.733
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.250  0.250  0.250  1.0
[/CIF]
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