The structure described by Ti2W3As4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to two equivalent W(4), one As(1), two equivalent As(2), and two equivalent As(3) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent W(1), one As(3), two equivalent As(1), and two equivalent As(4) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded in a 12-coordinate geometry to four equivalent Ti(2), four equivalent W(3), two equivalent As(1), and two equivalent As(4) atoms. In the second W site, W(2) is bonded in a 5-coordinate geometry to one As(4), two equivalent As(2), and two equivalent As(3) atoms. In the third W site, W(3) is bonded in a 5-coordinate geometry to two equivalent W(1), one As(2), two equivalent As(1), and two equivalent As(4) atoms. In the fourth W site, W(4) is bonded in a 4-coordinate geometry to four equivalent Ti(1), two equivalent As(2), and two equivalent As(3) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent Ti(2), one W(1), and two equivalent W(3) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Ti(1), one W(3), one W(4), and two equivalent W(2) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Ti(2), two equivalent Ti(1), one W(4), and two equivalent W(2) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to two equivalent Ti(2), one W(1), one W(2), and two equivalent W(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2As4W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.363
_cell_length_b   14.105
_cell_length_c   10.278
_cell_angle_alpha   43.149
_cell_angle_beta   70.892
_cell_angle_gamma   76.201
_symmetry_Int_Tables_number   1
_cell_volume   315.042
_cell_formula_units_Z   2
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  0.312  0.376  0.312  1.0
  Ti  Ti1  1  0.377  0.190  0.933  1.0
  Ti  Ti2  1  0.623  0.810  0.067  1.0
  Ti  Ti3  1  0.688  0.624  0.688  1.0
  As  As4  1  0.059  0.285  0.656  1.0
  As  As5  1  0.055  0.785  0.660  1.0
  As  As6  1  0.281  0.442  0.777  1.0
  As  As7  1  0.718  0.054  0.228  1.0
  As  As8  1  0.282  0.946  0.772  1.0
  As  As9  1  0.719  0.558  0.223  1.0
  As  As10  1  0.945  0.215  0.340  1.0
  As  As11  1  0.941  0.715  0.344  1.0
  W  W12  1  0.000  0.000  0.000  1.0
  W  W13  1  0.627  0.300  0.073  1.0
  W  W14  1  0.302  0.872  0.325  1.0
  W  W15  1  0.698  0.128  0.675  1.0
  W  W16  1  0.373  0.700  0.927  1.0
  W  W17  1  0.000  0.500  0.000  1.0
[/CIF]
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The structure described by Ti2W3As4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to two equivalent W(4), one As(1), two equivalent As(2), and two equivalent As(3) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent W(1), one As(3), two equivalent As(1), and two equivalent As(4) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded in a 12-coordinate geometry to four equivalent Ti(2), four equivalent W(3), two equivalent As(1), and two equivalent As(4) atoms. In the second W site, W(2) is bonded in a 5-coordinate geometry to one As(4), two equivalent As(2), and two equivalent As(3) atoms. In the third W site, W(3) is bonded in a 5-coordinate geometry to two equivalent W(1), one As(2), two equivalent As(1), and two equivalent As(4) atoms. In the fourth W site, W(4) is bonded in a 4-coordinate geometry to four equivalent Ti(1), two equivalent As(2), and two equivalent As(3) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent Ti(2), one W(1), and two equivalent W(3) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Ti(1), one W(3), one W(4), and two equivalent W(2) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Ti(2), two equivalent Ti(1), one W(4), and two equivalent W(2) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to two equivalent Ti(2), one W(1), one W(2), and two equivalent W(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2As4W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.363
_cell_length_b   14.105
_cell_length_c   10.278
_cell_angle_alpha   43.149
_cell_angle_beta   70.892
_cell_angle_gamma   76.201
_symmetry_Int_Tables_number   1
_cell_volume   315.042
_cell_formula_units_Z   2
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  0.312  0.376  0.312  1.0
  Ti  Ti1  1  0.377  0.190  0.933  1.0
  Ti  Ti2  1  0.623  0.810  0.067  1.0
  Ti  Ti3  1  0.688  0.624  0.688  1.0
  As  As4  1  0.059  0.285  0.656  1.0
  As  As5  1  0.055  0.785  0.660  1.0
  As  As6  1  0.281  0.442  0.777  1.0
  As  As7  1  0.718  0.054  0.228  1.0
  As  As8  1  0.282  0.946  0.772  1.0
  As  As9  1  0.719  0.558  0.223  1.0
  As  As10  1  0.945  0.215  0.340  1.0
  As  As11  1  0.941  0.715  0.344  1.0
  W  W12  1  0.000  0.000  0.000  1.0
  W  W13  1  0.627  0.300  0.073  1.0
  W  W14  1  0.302  0.872  0.325  1.0
  W  W15  1  0.698  0.128  0.675  1.0
  W  W16  1  0.373  0.700  0.927  1.0
  W  W17  1  0.000  0.500  0.000  1.0
[/CIF]
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