The compound described by Pa3As4 crystallizes in the cubic I-43d space group. Pa(1) is bonded to eight equivalent As(1) atoms to form a mixture of distorted edge, face, and corner-sharing PaAs8 hexagonal bipyramids. As(1) is bonded to six equivalent Pa(1) atoms to form a mixture of distorted edge, face, and corner-sharing AsPa6 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF file [CIF]
data_Pa3As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.446
_cell_length_c   7.446
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   317.845
_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  0.875  0.125  1.0
  Pa  Pa1  1  0.625  0.375  0.250  1.0
  Pa  Pa2  1  0.875  0.125  0.750  1.0
  Pa  Pa3  1  0.125  0.750  0.875  1.0
  Pa  Pa4  1  0.375  0.250  0.625  1.0
  Pa  Pa5  1  0.250  0.625  0.375  1.0
  As  As6  1  0.656  0.656  0.656  1.0
  As  As7  1  0.344  0.500  0.000  1.0
  As  As8  1  0.500  0.000  0.344  1.0
  As  As9  1  0.000  0.344  0.500  1.0
  As  As10  1  0.500  0.000  0.844  1.0
  As  As11  1  0.000  0.844  0.500  1.0
  As  As12  1  0.156  0.156  0.156  1.0
  As  As13  1  0.844  0.500  0.000  1.0
[/CIF]
.
The compound described by Pa3As4 crystallizes in the cubic I-43d space group. Pa(1) is bonded to eight equivalent As(1) atoms to form a mixture of distorted edge, face, and corner-sharing PaAs8 hexagonal bipyramids. As(1) is bonded to six equivalent Pa(1) atoms to form a mixture of distorted edge, face, and corner-sharing AsPa6 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF file [CIF]
data_Pa3As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.446
_cell_length_c   7.446
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   317.845
_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  0.875  0.125  1.0
  Pa  Pa1  1  0.625  0.375  0.250  1.0
  Pa  Pa2  1  0.875  0.125  0.750  1.0
  Pa  Pa3  1  0.125  0.750  0.875  1.0
  Pa  Pa4  1  0.375  0.250  0.625  1.0
  Pa  Pa5  1  0.250  0.625  0.375  1.0
  As  As6  1  0.656  0.656  0.656  1.0
  As  As7  1  0.344  0.500  0.000  1.0
  As  As8  1  0.500  0.000  0.344  1.0
  As  As9  1  0.000  0.344  0.500  1.0
  As  As10  1  0.500  0.000  0.844  1.0
  As  As11  1  0.000  0.844  0.500  1.0
  As  As12  1  0.156  0.156  0.156  1.0
  As  As13  1  0.844  0.500  0.000  1.0
[/CIF]
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