The crystal structure described by Pa3Al is beta Cu3Ti-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 Al(1) atoms to form PaPa8Al4 cuboctahedra that share corners with twelve equivalent Pa(1)Pa8Al4 cuboctahedra, edges with eight equivalent Pa(1)Pa8Al4 cuboctahedra, edges with eight equivalent Pa(2)Pa8Al4 cuboctahedra, edges with eight equivalent Al(1)Pa12 cuboctahedra, faces with four equivalent Pa(2)Pa8Al4 cuboctahedra, faces with four equivalent Al(1)Pa12 cuboctahedra, and faces with ten equivalent Pa(1)Pa8Al4 cuboctahedra. In the second Pa site, Pa(2) is bonded to eight equivalent Pa(1) and four equivalent Al(1) atoms to form PaPa8Al4 cuboctahedra that share corners with four equivalent Pa(2)Pa8Al4 cuboctahedra, corners with eight equivalent Al(1)Pa12 cuboctahedra, edges with eight equivalent Pa(2)Pa8Al4 cuboctahedra, edges with sixteen equivalent Pa(1)Pa8Al4 cuboctahedra, faces with four equivalent Pa(2)Pa8Al4 cuboctahedra, faces with six equivalent Al(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Pa8Al4 cuboctahedra. Al(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form AlPa12 cuboctahedra that share corners with four equivalent Al(1)Pa12 cuboctahedra, corners with eight equivalent Pa(2)Pa8Al4 cuboctahedra, edges with eight equivalent Al(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Pa8Al4 cuboctahedra, faces with four equivalent Al(1)Pa12 cuboctahedra, faces with six equivalent Pa(2)Pa8Al4 cuboctahedra, and faces with eight equivalent Pa(1)Pa8Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pa3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   5.503
_cell_angle_alpha   131.682
_cell_angle_beta   131.682
_cell_angle_gamma   70.732
_symmetry_Int_Tables_number   1
_cell_volume   91.059
_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
  Al  Al3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Pa3Al is beta Cu3Ti-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 Al(1) atoms to form PaPa8Al4 cuboctahedra that share corners with twelve equivalent Pa(1)Pa8Al4 cuboctahedra, edges with eight equivalent Pa(1)Pa8Al4 cuboctahedra, edges with eight equivalent Pa(2)Pa8Al4 cuboctahedra, edges with eight equivalent Al(1)Pa12 cuboctahedra, faces with four equivalent Pa(2)Pa8Al4 cuboctahedra, faces with four equivalent Al(1)Pa12 cuboctahedra, and faces with ten equivalent Pa(1)Pa8Al4 cuboctahedra. In the second Pa site, Pa(2) is bonded to eight equivalent Pa(1) and four equivalent Al(1) atoms to form PaPa8Al4 cuboctahedra that share corners with four equivalent Pa(2)Pa8Al4 cuboctahedra, corners with eight equivalent Al(1)Pa12 cuboctahedra, edges with eight equivalent Pa(2)Pa8Al4 cuboctahedra, edges with sixteen equivalent Pa(1)Pa8Al4 cuboctahedra, faces with four equivalent Pa(2)Pa8Al4 cuboctahedra, faces with six equivalent Al(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Pa8Al4 cuboctahedra. Al(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form AlPa12 cuboctahedra that share corners with four equivalent Al(1)Pa12 cuboctahedra, corners with eight equivalent Pa(2)Pa8Al4 cuboctahedra, edges with eight equivalent Al(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Pa8Al4 cuboctahedra, faces with four equivalent Al(1)Pa12 cuboctahedra, faces with six equivalent Pa(2)Pa8Al4 cuboctahedra, and faces with eight equivalent Pa(1)Pa8Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pa3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   5.503
_cell_length_c   5.503
_cell_angle_alpha   131.682
_cell_angle_beta   131.682
_cell_angle_gamma   70.732
_symmetry_Int_Tables_number   1
_cell_volume   91.059
_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
  Al  Al3  1  0.000  0.000  0.000  1.0
[/CIF]
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