The structure described by BaPa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form BaPa12 cuboctahedra that share corners with four equivalent Ba(1)Pa12 cuboctahedra, corners with eight equivalent Pa(2)Ba4Pa8 cuboctahedra, edges with eight equivalent Ba(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Ba4Pa8 cuboctahedra, faces with four equivalent Ba(1)Pa12 cuboctahedra, faces with six equivalent Pa(2)Ba4Pa8 cuboctahedra, and faces with eight equivalent Pa(1)Ba4Pa8 cuboctahedra. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Ba(1), four equivalent Pa(1), and four equivalent Pa(2) atoms to form distorted PaBa4Pa8 cuboctahedra that share corners with twelve equivalent Pa(1)Ba4Pa8 cuboctahedra, edges with eight equivalent Ba(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Ba4Pa8 cuboctahedra, edges with eight equivalent Pa(2)Ba4Pa8 cuboctahedra, faces with four equivalent Ba(1)Pa12 cuboctahedra, faces with four equivalent Pa(2)Ba4Pa8 cuboctahedra, and faces with ten equivalent Pa(1)Ba4Pa8 cuboctahedra. In the second Pa site, Pa(2) is bonded to four equivalent Ba(1) and eight equivalent Pa(1) atoms to form distorted PaBa4Pa8 cuboctahedra that share corners with four equivalent Pa(2)Ba4Pa8 cuboctahedra, corners with eight equivalent Ba(1)Pa12 cuboctahedra, edges with eight equivalent Pa(2)Ba4Pa8 cuboctahedra, edges with sixteen equivalent Pa(1)Ba4Pa8 cuboctahedra, faces with four equivalent Pa(2)Ba4Pa8 cuboctahedra, faces with six equivalent Ba(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Ba4Pa8 cuboctahedra. is represented by the CIF card [CIF]
data_BaPa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   5.902
_cell_angle_alpha   132.074
_cell_angle_beta   132.074
_cell_angle_gamma   70.113
_symmetry_Int_Tables_number   1
_cell_volume   111.029
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.750  0.250  0.500  1.0
  Pa  Pa2  1  0.250  0.750  0.500  1.0
  Pa  Pa3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by BaPa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form BaPa12 cuboctahedra that share corners with four equivalent Ba(1)Pa12 cuboctahedra, corners with eight equivalent Pa(2)Ba4Pa8 cuboctahedra, edges with eight equivalent Ba(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Ba4Pa8 cuboctahedra, faces with four equivalent Ba(1)Pa12 cuboctahedra, faces with six equivalent Pa(2)Ba4Pa8 cuboctahedra, and faces with eight equivalent Pa(1)Ba4Pa8 cuboctahedra. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Ba(1), four equivalent Pa(1), and four equivalent Pa(2) atoms to form distorted PaBa4Pa8 cuboctahedra that share corners with twelve equivalent Pa(1)Ba4Pa8 cuboctahedra, edges with eight equivalent Ba(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Ba4Pa8 cuboctahedra, edges with eight equivalent Pa(2)Ba4Pa8 cuboctahedra, faces with four equivalent Ba(1)Pa12 cuboctahedra, faces with four equivalent Pa(2)Ba4Pa8 cuboctahedra, and faces with ten equivalent Pa(1)Ba4Pa8 cuboctahedra. In the second Pa site, Pa(2) is bonded to four equivalent Ba(1) and eight equivalent Pa(1) atoms to form distorted PaBa4Pa8 cuboctahedra that share corners with four equivalent Pa(2)Ba4Pa8 cuboctahedra, corners with eight equivalent Ba(1)Pa12 cuboctahedra, edges with eight equivalent Pa(2)Ba4Pa8 cuboctahedra, edges with sixteen equivalent Pa(1)Ba4Pa8 cuboctahedra, faces with four equivalent Pa(2)Ba4Pa8 cuboctahedra, faces with six equivalent Ba(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Ba4Pa8 cuboctahedra. is represented by the CIF card [CIF]
data_BaPa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   5.902
_cell_angle_alpha   132.074
_cell_angle_beta   132.074
_cell_angle_gamma   70.113
_symmetry_Int_Tables_number   1
_cell_volume   111.029
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.750  0.250  0.500  1.0
  Pa  Pa2  1  0.250  0.750  0.500  1.0
  Pa  Pa3  1  0.500  0.500  0.000  1.0
[/CIF]
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