The material described by PaAs2 crystallizes in the tetragonal P4/nmm space group. Pa(1) is bonded in a 9-coordinate geometry to four equivalent As(2) and five equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to five equivalent Pa(1) atoms to form a mixture of distorted corner and edge-sharing AsPa5 trigonal bipyramids. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Pa(1) and four equivalent As(2) atoms. is represented by the CIF file [CIF]
data_PaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.017
_cell_length_b   4.017
_cell_length_c   8.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.183
_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  0.750  0.750  0.277  1.0
  Pa  Pa1  1  0.250  0.250  0.723  1.0
  As  As2  1  0.750  0.750  0.639  1.0
  As  As3  1  0.250  0.250  0.361  1.0
  As  As4  1  0.250  0.750  0.000  1.0
  As  As5  1  0.750  0.250  0.000  1.0
[/CIF]
.
The material described by PaAs2 crystallizes in the tetragonal P4/nmm space group. Pa(1) is bonded in a 9-coordinate geometry to four equivalent As(2) and five equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to five equivalent Pa(1) atoms to form a mixture of distorted corner and edge-sharing AsPa5 trigonal bipyramids. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Pa(1) and four equivalent As(2) atoms. is represented by the CIF file [CIF]
data_PaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.017
_cell_length_b   4.017
_cell_length_c   8.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.183
_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  0.750  0.750  0.277  1.0
  Pa  Pa1  1  0.250  0.250  0.723  1.0
  As  As2  1  0.750  0.750  0.639  1.0
  As  As3  1  0.250  0.250  0.361  1.0
  As  As4  1  0.250  0.750  0.000  1.0
  As  As5  1  0.750  0.250  0.000  1.0
[/CIF]
.