The structure described by TiRuAs crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), two equivalent As(2), and four equivalent As(1) atoms. In the second Ti site, Ti(2) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one As(2), and four equivalent As(1) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Ru(2), four equivalent Ru(1), one As(2), and four equivalent As(1) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(2), two equivalent Ti(3), one Ru(2), two equivalent As(1), and two equivalent As(2) atoms. In the second Ru site, Ru(2) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), two equivalent Ru(1), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Ru(2), and two equivalent Ru(1) atoms. In the second As site, As(2) is bonded in a 10-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(1), two equivalent Ru(2), and four equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_TiAsRu
_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   128.310
_cell_angle_beta   120.692
_cell_angle_gamma   82.513
_symmetry_Int_Tables_number   1
_cell_volume   267.742
_cell_formula_units_Z   6
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  0.468  0.243  0.275  1.0
  Ti  Ti1  1  0.532  0.807  0.775  1.0
  Ti  Ti2  1  0.751  0.668  0.418  1.0
  Ti  Ti3  1  0.249  0.667  0.918  1.0
  Ti  Ti4  1  0.055  0.847  0.293  1.0
  Ti  Ti5  1  0.945  0.238  0.793  1.0
  As  As6  1  0.836  0.579  0.749  1.0
  As  As7  1  0.164  0.913  0.744  1.0
  As  As8  1  0.670  0.913  0.249  1.0
  As  As9  1  0.330  0.579  0.244  1.0
  As  As10  1  0.286  0.287  0.501  1.0
  As  As11  1  0.714  0.216  0.001  1.0
  Ru  Ru12  1  0.664  0.496  0.912  1.0
  Ru  Ru13  1  0.336  0.248  0.832  1.0
  Ru  Ru14  1  0.917  0.248  0.412  1.0
  Ru  Ru15  1  0.083  0.496  0.332  1.0
  Ru  Ru16  1  1.000  0.997  0.997  1.0
  Ru  Ru17  1  0.500  0.997  0.497  1.0
[/CIF]
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The structure described by TiRuAs crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), two equivalent As(2), and four equivalent As(1) atoms. In the second Ti site, Ti(2) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one As(2), and four equivalent As(1) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Ru(2), four equivalent Ru(1), one As(2), and four equivalent As(1) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(2), two equivalent Ti(3), one Ru(2), two equivalent As(1), and two equivalent As(2) atoms. In the second Ru site, Ru(2) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), two equivalent Ru(1), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Ru(2), and two equivalent Ru(1) atoms. In the second As site, As(2) is bonded in a 10-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(1), two equivalent Ru(2), and four equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_TiAsRu
_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   128.310
_cell_angle_beta   120.692
_cell_angle_gamma   82.513
_symmetry_Int_Tables_number   1
_cell_volume   267.742
_cell_formula_units_Z   6
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  0.468  0.243  0.275  1.0
  Ti  Ti1  1  0.532  0.807  0.775  1.0
  Ti  Ti2  1  0.751  0.668  0.418  1.0
  Ti  Ti3  1  0.249  0.667  0.918  1.0
  Ti  Ti4  1  0.055  0.847  0.293  1.0
  Ti  Ti5  1  0.945  0.238  0.793  1.0
  As  As6  1  0.836  0.579  0.749  1.0
  As  As7  1  0.164  0.913  0.744  1.0
  As  As8  1  0.670  0.913  0.249  1.0
  As  As9  1  0.330  0.579  0.244  1.0
  As  As10  1  0.286  0.287  0.501  1.0
  As  As11  1  0.714  0.216  0.001  1.0
  Ru  Ru12  1  0.664  0.496  0.912  1.0
  Ru  Ru13  1  0.336  0.248  0.832  1.0
  Ru  Ru14  1  0.917  0.248  0.412  1.0
  Ru  Ru15  1  0.083  0.496  0.332  1.0
  Ru  Ru16  1  1.000  0.997  0.997  1.0
  Ru  Ru17  1  0.500  0.997  0.497  1.0
[/CIF]
.