The crystal structure described by Ag3As is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Ag(1), four equivalent Ag(2), and four equivalent As(1) atoms to form AgAg8As4 cuboctahedra that share corners with twelve equivalent Ag(1)Ag8As4 cuboctahedra, edges with eight equivalent Ag(1)Ag8As4 cuboctahedra, edges with eight equivalent Ag(2)Ag8As4 cuboctahedra, edges with eight equivalent As(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Ag8As4 cuboctahedra, faces with four equivalent As(1)Ag12 cuboctahedra, and faces with ten equivalent Ag(1)Ag8As4 cuboctahedra. In the second Ag site, Ag(2) is bonded to eight equivalent Ag(1) and four equivalent As(1) atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent Ag(2)Ag8As4 cuboctahedra, corners with eight equivalent As(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ag8As4 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8As4 cuboctahedra, faces with four equivalent Ag(2)Ag8As4 cuboctahedra, faces with six equivalent As(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Ag8As4 cuboctahedra. As(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form AsAg12 cuboctahedra that share corners with four equivalent As(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ag8As4 cuboctahedra, edges with eight equivalent As(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8As4 cuboctahedra, faces with four equivalent As(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Ag8As4 cuboctahedra, and faces with eight equivalent Ag(1)Ag8As4 cuboctahedra. is represented by the CIF card [CIF]
data_Ag3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.125
_cell_length_b   5.125
_cell_length_c   5.125
_cell_angle_alpha   131.580
_cell_angle_beta   131.580
_cell_angle_gamma   70.894
_symmetry_Int_Tables_number   1
_cell_volume   73.775
_cell_formula_units_Z   1
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
  Ag  Ag0  1  0.750  0.250  0.500  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ag3As is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Ag(1), four equivalent Ag(2), and four equivalent As(1) atoms to form AgAg8As4 cuboctahedra that share corners with twelve equivalent Ag(1)Ag8As4 cuboctahedra, edges with eight equivalent Ag(1)Ag8As4 cuboctahedra, edges with eight equivalent Ag(2)Ag8As4 cuboctahedra, edges with eight equivalent As(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Ag8As4 cuboctahedra, faces with four equivalent As(1)Ag12 cuboctahedra, and faces with ten equivalent Ag(1)Ag8As4 cuboctahedra. In the second Ag site, Ag(2) is bonded to eight equivalent Ag(1) and four equivalent As(1) atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent Ag(2)Ag8As4 cuboctahedra, corners with eight equivalent As(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ag8As4 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8As4 cuboctahedra, faces with four equivalent Ag(2)Ag8As4 cuboctahedra, faces with six equivalent As(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Ag8As4 cuboctahedra. As(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form AsAg12 cuboctahedra that share corners with four equivalent As(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ag8As4 cuboctahedra, edges with eight equivalent As(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Ag8As4 cuboctahedra, faces with four equivalent As(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Ag8As4 cuboctahedra, and faces with eight equivalent Ag(1)Ag8As4 cuboctahedra. is represented by the CIF card [CIF]
data_Ag3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.125
_cell_length_b   5.125
_cell_length_c   5.125
_cell_angle_alpha   131.580
_cell_angle_beta   131.580
_cell_angle_gamma   70.894
_symmetry_Int_Tables_number   1
_cell_volume   73.775
_cell_formula_units_Z   1
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
  Ag  Ag0  1  0.750  0.250  0.500  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
[/CIF]
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