The compound described by As crystallizes in the tetragonal I4/mmm space group. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent As(1) and four equivalent As(2) atoms to form a mixture of distorted edge, corner, and face-sharing AsAs8 hexagonal bipyramids. In the second As site, As(2) is bonded to eight equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing AsAs8 hexagonal bipyramids. is represented by the CIF file [CIF]
data_As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   4.987
_cell_length_c   4.987
_cell_angle_alpha   131.817
_cell_angle_beta   131.817
_cell_angle_gamma   70.517
_symmetry_Int_Tables_number   1
_cell_volume   67.503
_cell_formula_units_Z   3
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
  As  As0  1  0.750  0.250  0.500  1.0
  As  As1  1  0.250  0.750  0.500  1.0
  As  As2  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by As crystallizes in the tetragonal I4/mmm space group. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent As(1) and four equivalent As(2) atoms to form a mixture of distorted edge, corner, and face-sharing AsAs8 hexagonal bipyramids. In the second As site, As(2) is bonded to eight equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing AsAs8 hexagonal bipyramids. is represented by the CIF file [CIF]
data_As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   4.987
_cell_length_c   4.987
_cell_angle_alpha   131.817
_cell_angle_beta   131.817
_cell_angle_gamma   70.517
_symmetry_Int_Tables_number   1
_cell_volume   67.503
_cell_formula_units_Z   3
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
  As  As0  1  0.750  0.250  0.500  1.0
  As  As1  1  0.250  0.750  0.500  1.0
  As  As2  1  0.500  0.500  0.000  1.0
[/CIF]
.