The crystal structure described by CrAsTiAs is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded to six equivalent As(1) atoms to form TiAs6 octahedra that share corners with twelve equivalent Cr(1)As6 octahedra, edges with six equivalent Ti(1)As6 octahedra, and faces with two equivalent Cr(1)As6 octahedra. The corner-sharing octahedral tilt angles are 48°. Cr(1) is bonded to six equivalent As(1) atoms to form CrAs6 octahedra that share corners with twelve equivalent Ti(1)As6 octahedra, edges with six equivalent Cr(1)As6 octahedra, and faces with two equivalent Ti(1)As6 octahedra. The corner-sharing octahedral tilt angles are 48°. As(1) is bonded to three equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing AsTi3Cr3 pentagonal pyramids. is represented by the CIF file [CIF]
data_TiCrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.640
_cell_length_b   3.640
_cell_length_c   5.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   68.116
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  As  As2  1  0.667  0.333  0.264  1.0
  As  As3  1  0.333  0.667  0.736  1.0
[/CIF]
.
The crystal structure described by CrAsTiAs is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded to six equivalent As(1) atoms to form TiAs6 octahedra that share corners with twelve equivalent Cr(1)As6 octahedra, edges with six equivalent Ti(1)As6 octahedra, and faces with two equivalent Cr(1)As6 octahedra. The corner-sharing octahedral tilt angles are 48°. Cr(1) is bonded to six equivalent As(1) atoms to form CrAs6 octahedra that share corners with twelve equivalent Ti(1)As6 octahedra, edges with six equivalent Cr(1)As6 octahedra, and faces with two equivalent Ti(1)As6 octahedra. The corner-sharing octahedral tilt angles are 48°. As(1) is bonded to three equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing AsTi3Cr3 pentagonal pyramids. is represented by the CIF file [CIF]
data_TiCrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.640
_cell_length_b   3.640
_cell_length_c   5.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   68.116
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  As  As2  1  0.667  0.333  0.264  1.0
  As  As3  1  0.333  0.667  0.736  1.0
[/CIF]
.