The material structure described by Pa3Nb is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to eight equivalent Pa(1) and four equivalent Nb(1) atoms to form distorted PaPa8Nb4 cuboctahedra that share corners with four equivalent Nb(1)Pa12 cuboctahedra, corners with fourteen equivalent Pa(1)Pa8Nb4 cuboctahedra, edges with six equivalent Nb(1)Pa12 cuboctahedra, edges with twelve equivalent Pa(1)Pa8Nb4 cuboctahedra, faces with four equivalent Nb(1)Pa12 cuboctahedra, and faces with sixteen equivalent Pa(1)Pa8Nb4 cuboctahedra. Nb(1) is bonded to twelve equivalent Pa(1) atoms to form NbPa12 cuboctahedra that share corners with six equivalent Nb(1)Pa12 cuboctahedra, corners with twelve equivalent Pa(1)Pa8Nb4 cuboctahedra, edges with eighteen equivalent Pa(1)Pa8Nb4 cuboctahedra, faces with eight equivalent Nb(1)Pa12 cuboctahedra, and faces with twelve equivalent Pa(1)Pa8Nb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pa3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   6.237
_cell_length_c   5.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.977
_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  0.173  0.346  0.250  1.0
  Pa  Pa1  1  0.654  0.827  0.250  1.0
  Pa  Pa2  1  0.173  0.827  0.250  1.0
  Pa  Pa3  1  0.827  0.654  0.750  1.0
  Pa  Pa4  1  0.346  0.173  0.750  1.0
  Pa  Pa5  1  0.827  0.173  0.750  1.0
  Nb  Nb6  1  0.333  0.667  0.750  1.0
  Nb  Nb7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Pa3Nb is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to eight equivalent Pa(1) and four equivalent Nb(1) atoms to form distorted PaPa8Nb4 cuboctahedra that share corners with four equivalent Nb(1)Pa12 cuboctahedra, corners with fourteen equivalent Pa(1)Pa8Nb4 cuboctahedra, edges with six equivalent Nb(1)Pa12 cuboctahedra, edges with twelve equivalent Pa(1)Pa8Nb4 cuboctahedra, faces with four equivalent Nb(1)Pa12 cuboctahedra, and faces with sixteen equivalent Pa(1)Pa8Nb4 cuboctahedra. Nb(1) is bonded to twelve equivalent Pa(1) atoms to form NbPa12 cuboctahedra that share corners with six equivalent Nb(1)Pa12 cuboctahedra, corners with twelve equivalent Pa(1)Pa8Nb4 cuboctahedra, edges with eighteen equivalent Pa(1)Pa8Nb4 cuboctahedra, faces with eight equivalent Nb(1)Pa12 cuboctahedra, and faces with twelve equivalent Pa(1)Pa8Nb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pa3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   6.237
_cell_length_c   5.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.977
_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  0.173  0.346  0.250  1.0
  Pa  Pa1  1  0.654  0.827  0.250  1.0
  Pa  Pa2  1  0.173  0.827  0.250  1.0
  Pa  Pa3  1  0.827  0.654  0.750  1.0
  Pa  Pa4  1  0.346  0.173  0.750  1.0
  Pa  Pa5  1  0.827  0.173  0.750  1.0
  Nb  Nb6  1  0.333  0.667  0.750  1.0
  Nb  Nb7  1  0.667  0.333  0.250  1.0
[/CIF]
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