The material described by Ta2SiAs2 crystallizes in the tetragonal P4/mmm space group. Ta(1) is bonded to four equivalent Ta(1), one Si(1), and one As(1) atom to form distorted TaTa4SiAs octahedra that share  a cornercorner with one As(1)TaAs5 octahedra, corners with five equivalent Ta(1)Ta4SiAs octahedra, edges with four equivalent Ta(1)Ta4SiAs octahedra, edges with four equivalent Si(1)Ta2Si4 octahedra, and edges with four equivalent As(1)TaAs5 octahedra. The corner-sharing octahedra are not tilted. Si(1) is bonded to two equivalent Ta(1) and four equivalent Si(1) atoms to form distorted SiTa2Si4 octahedra that share corners with two equivalent As(1)TaAs5 octahedra, corners with four equivalent Si(1)Ta2Si4 octahedra, edges with four equivalent Si(1)Ta2Si4 octahedra, and edges with eight equivalent Ta(1)Ta4SiAs octahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to one Ta(1) and five equivalent As(1) atoms to form distorted AsTaAs5 octahedra that share  a cornercorner with one Ta(1)Ta4SiAs octahedra,  a cornercorner with one Si(1)Ta2Si4 octahedra, corners with four equivalent As(1)TaAs5 octahedra, edges with four equivalent Ta(1)Ta4SiAs octahedra, and edges with eight equivalent As(1)TaAs5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ta2SiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.723
_cell_length_b   2.723
_cell_length_c   13.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.552
_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
  Ta  Ta0  1  0.500  0.500  0.189  1.0
  Ta  Ta1  1  0.500  0.500  0.811  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  As  As3  1  0.500  0.500  0.606  1.0
  As  As4  1  0.500  0.500  0.394  1.0
[/CIF]
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The material described by Ta2SiAs2 crystallizes in the tetragonal P4/mmm space group. Ta(1) is bonded to four equivalent Ta(1), one Si(1), and one As(1) atom to form distorted TaTa4SiAs octahedra that share  a cornercorner with one As(1)TaAs5 octahedra, corners with five equivalent Ta(1)Ta4SiAs octahedra, edges with four equivalent Ta(1)Ta4SiAs octahedra, edges with four equivalent Si(1)Ta2Si4 octahedra, and edges with four equivalent As(1)TaAs5 octahedra. The corner-sharing octahedra are not tilted. Si(1) is bonded to two equivalent Ta(1) and four equivalent Si(1) atoms to form distorted SiTa2Si4 octahedra that share corners with two equivalent As(1)TaAs5 octahedra, corners with four equivalent Si(1)Ta2Si4 octahedra, edges with four equivalent Si(1)Ta2Si4 octahedra, and edges with eight equivalent Ta(1)Ta4SiAs octahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to one Ta(1) and five equivalent As(1) atoms to form distorted AsTaAs5 octahedra that share  a cornercorner with one Ta(1)Ta4SiAs octahedra,  a cornercorner with one Si(1)Ta2Si4 octahedra, corners with four equivalent As(1)TaAs5 octahedra, edges with four equivalent Ta(1)Ta4SiAs octahedra, and edges with eight equivalent As(1)TaAs5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ta2SiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.723
_cell_length_b   2.723
_cell_length_c   13.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.552
_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
  Ta  Ta0  1  0.500  0.500  0.189  1.0
  Ta  Ta1  1  0.500  0.500  0.811  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  As  As3  1  0.500  0.500  0.606  1.0
  As  As4  1  0.500  0.500  0.394  1.0
[/CIF]
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