The crystal structure described by Pa3Re is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to eight equivalent Pa(1) and four equivalent Re(1) atoms to form distorted PaPa8Re4 cuboctahedra that share corners with four equivalent Re(1)Pa12 cuboctahedra, corners with fourteen equivalent Pa(1)Pa8Re4 cuboctahedra, edges with six equivalent Re(1)Pa12 cuboctahedra, edges with twelve equivalent Pa(1)Pa8Re4 cuboctahedra, faces with four equivalent Re(1)Pa12 cuboctahedra, and faces with sixteen equivalent Pa(1)Pa8Re4 cuboctahedra. Re(1) is bonded to twelve equivalent Pa(1) atoms to form RePa12 cuboctahedra that share corners with six equivalent Re(1)Pa12 cuboctahedra, corners with twelve equivalent Pa(1)Pa8Re4 cuboctahedra, edges with eighteen equivalent Pa(1)Pa8Re4 cuboctahedra, faces with eight equivalent Re(1)Pa12 cuboctahedra, and faces with twelve equivalent Pa(1)Pa8Re4 cuboctahedra. is represented by the CIF card [CIF]
data_Pa3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.199
_cell_length_c   5.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.751
_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
  Pa  Pa0  1  0.176  0.353  0.250  1.0
  Pa  Pa1  1  0.647  0.824  0.250  1.0
  Pa  Pa2  1  0.176  0.824  0.250  1.0
  Pa  Pa3  1  0.824  0.647  0.750  1.0
  Pa  Pa4  1  0.353  0.176  0.750  1.0
  Pa  Pa5  1  0.824  0.176  0.750  1.0
  Re  Re6  1  0.333  0.667  0.750  1.0
  Re  Re7  1  0.667  0.333  0.250  1.0
[/CIF]
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The crystal structure described by Pa3Re is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to eight equivalent Pa(1) and four equivalent Re(1) atoms to form distorted PaPa8Re4 cuboctahedra that share corners with four equivalent Re(1)Pa12 cuboctahedra, corners with fourteen equivalent Pa(1)Pa8Re4 cuboctahedra, edges with six equivalent Re(1)Pa12 cuboctahedra, edges with twelve equivalent Pa(1)Pa8Re4 cuboctahedra, faces with four equivalent Re(1)Pa12 cuboctahedra, and faces with sixteen equivalent Pa(1)Pa8Re4 cuboctahedra. Re(1) is bonded to twelve equivalent Pa(1) atoms to form RePa12 cuboctahedra that share corners with six equivalent Re(1)Pa12 cuboctahedra, corners with twelve equivalent Pa(1)Pa8Re4 cuboctahedra, edges with eighteen equivalent Pa(1)Pa8Re4 cuboctahedra, faces with eight equivalent Re(1)Pa12 cuboctahedra, and faces with twelve equivalent Pa(1)Pa8Re4 cuboctahedra. is represented by the CIF card [CIF]
data_Pa3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.199
_cell_length_c   5.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.751
_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
  Pa  Pa0  1  0.176  0.353  0.250  1.0
  Pa  Pa1  1  0.647  0.824  0.250  1.0
  Pa  Pa2  1  0.176  0.824  0.250  1.0
  Pa  Pa3  1  0.824  0.647  0.750  1.0
  Pa  Pa4  1  0.353  0.176  0.750  1.0
  Pa  Pa5  1  0.824  0.176  0.750  1.0
  Re  Re6  1  0.333  0.667  0.750  1.0
  Re  Re7  1  0.667  0.333  0.250  1.0
[/CIF]
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