The material described by Pa3W is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Pa(1), four equivalent Pa(2), and four equivalent W(1) atoms to form distorted PaPa8W4 cuboctahedra that share corners with twelve equivalent Pa(1)Pa8W4 cuboctahedra, edges with eight equivalent Pa(1)Pa8W4 cuboctahedra, edges with eight equivalent W(1)Pa12 cuboctahedra, faces with four equivalent W(1)Pa12 cuboctahedra, and faces with ten equivalent Pa(1)Pa8W4 cuboctahedra. In the second Pa site, Pa(2) is bonded in a square co-planar geometry to eight equivalent Pa(1) and four equivalent W(1) atoms. W(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form WPa12 cuboctahedra that share corners with four equivalent W(1)Pa12 cuboctahedra, edges with eight equivalent W(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Pa8W4 cuboctahedra, faces with four equivalent W(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Pa8W4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pa3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.830
_cell_length_c   5.830
_cell_angle_alpha   137.026
_cell_angle_beta   137.026
_cell_angle_gamma   62.398
_symmetry_Int_Tables_number   1
_cell_volume   90.967
_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
  Pa  Pa0  1  0.750  0.250  0.500  1.0
  Pa  Pa1  1  0.250  0.750  0.500  1.0
  Pa  Pa2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Pa3W is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Pa(1), four equivalent Pa(2), and four equivalent W(1) atoms to form distorted PaPa8W4 cuboctahedra that share corners with twelve equivalent Pa(1)Pa8W4 cuboctahedra, edges with eight equivalent Pa(1)Pa8W4 cuboctahedra, edges with eight equivalent W(1)Pa12 cuboctahedra, faces with four equivalent W(1)Pa12 cuboctahedra, and faces with ten equivalent Pa(1)Pa8W4 cuboctahedra. In the second Pa site, Pa(2) is bonded in a square co-planar geometry to eight equivalent Pa(1) and four equivalent W(1) atoms. W(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form WPa12 cuboctahedra that share corners with four equivalent W(1)Pa12 cuboctahedra, edges with eight equivalent W(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Pa8W4 cuboctahedra, faces with four equivalent W(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Pa8W4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pa3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.830
_cell_length_c   5.830
_cell_angle_alpha   137.026
_cell_angle_beta   137.026
_cell_angle_gamma   62.398
_symmetry_Int_Tables_number   1
_cell_volume   90.967
_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
  Pa  Pa0  1  0.750  0.250  0.500  1.0
  Pa  Pa1  1  0.250  0.750  0.500  1.0
  Pa  Pa2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.000  1.0
[/CIF]
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