The compound described by TiW3P4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent W(2), one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. In the second W site, W(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms. In the third W site, W(3) is bonded in a 6-coordinate geometry to one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Ti(1), one W(1), two equivalent W(2), and two equivalent W(3) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Ti(1), one W(1), two equivalent W(2), and two equivalent W(3) atoms. In the third P site, P(3) is bonded in a 6-coordinate geometry to two equivalent Ti(1), one W(2), one W(3), and two equivalent W(1) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent Ti(1), one W(2), one W(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiP4W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.280
_cell_length_b   5.752
_cell_length_c   6.299
_cell_angle_alpha   89.814
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.855
_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  0.500  0.509  0.309  1.0
  P  P1  1  0.500  0.689  0.931  1.0
  P  P2  1  0.500  0.191  0.566  1.0
  P  P3  1  0.000  0.310  0.067  1.0
  P  P4  1  0.000  0.814  0.438  1.0
  W  W5  1  0.500  0.008  0.190  1.0
  W  W6  1  0.000  0.489  0.688  1.0
  W  W7  1  0.000  0.990  0.811  1.0
[/CIF]
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The compound described by TiW3P4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent W(2), one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. In the second W site, W(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms. In the third W site, W(3) is bonded in a 6-coordinate geometry to one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Ti(1), one W(1), two equivalent W(2), and two equivalent W(3) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Ti(1), one W(1), two equivalent W(2), and two equivalent W(3) atoms. In the third P site, P(3) is bonded in a 6-coordinate geometry to two equivalent Ti(1), one W(2), one W(3), and two equivalent W(1) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent Ti(1), one W(2), one W(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiP4W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.280
_cell_length_b   5.752
_cell_length_c   6.299
_cell_angle_alpha   89.814
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.855
_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  0.500  0.509  0.309  1.0
  P  P1  1  0.500  0.689  0.931  1.0
  P  P2  1  0.500  0.191  0.566  1.0
  P  P3  1  0.000  0.310  0.067  1.0
  P  P4  1  0.000  0.814  0.438  1.0
  W  W5  1  0.500  0.008  0.190  1.0
  W  W6  1  0.000  0.489  0.688  1.0
  W  W7  1  0.000  0.990  0.811  1.0
[/CIF]
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