The compound described by TiWP2 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Imm2 space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent P(1) and four equivalent P(2) atoms. W(1) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ti(1) and four equivalent W(1) atoms to form distorted PTi2W4 pentagonal pyramids that share corners with four equivalent P(1)Ti2W4 pentagonal pyramids, corners with eight equivalent P(2)Ti4W2 pentagonal pyramids, edges with two equivalent P(1)Ti2W4 pentagonal pyramids, edges with four equivalent P(2)Ti4W2 pentagonal pyramids, and faces with two equivalent P(1)Ti2W4 pentagonal pyramids. In the second P site, P(2) is bonded to four equivalent Ti(1) and two equivalent W(1) atoms to form distorted PTi4W2 pentagonal pyramids that share corners with four equivalent P(2)Ti4W2 pentagonal pyramids, corners with eight equivalent P(1)Ti2W4 pentagonal pyramids, edges with two equivalent P(2)Ti4W2 pentagonal pyramids, edges with four equivalent P(1)Ti2W4 pentagonal pyramids, and faces with two equivalent P(2)Ti4W2 pentagonal pyramids. is represented by the CIF file [CIF]
data_TiP2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.029
_cell_length_b   6.029
_cell_length_c   6.029
_cell_angle_alpha   149.059
_cell_angle_beta   148.386
_cell_angle_gamma   44.823
_symmetry_Int_Tables_number   1
_cell_volume   58.896
_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  0.003  0.003  0.000  1.0
  P  P1  1  0.335  0.835  0.500  1.0
  P  P2  1  0.583  0.583  0.000  1.0
  W  W3  1  0.748  0.248  0.500  1.0
[/CIF]
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The compound described by TiWP2 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Imm2 space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent P(1) and four equivalent P(2) atoms. W(1) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ti(1) and four equivalent W(1) atoms to form distorted PTi2W4 pentagonal pyramids that share corners with four equivalent P(1)Ti2W4 pentagonal pyramids, corners with eight equivalent P(2)Ti4W2 pentagonal pyramids, edges with two equivalent P(1)Ti2W4 pentagonal pyramids, edges with four equivalent P(2)Ti4W2 pentagonal pyramids, and faces with two equivalent P(1)Ti2W4 pentagonal pyramids. In the second P site, P(2) is bonded to four equivalent Ti(1) and two equivalent W(1) atoms to form distorted PTi4W2 pentagonal pyramids that share corners with four equivalent P(2)Ti4W2 pentagonal pyramids, corners with eight equivalent P(1)Ti2W4 pentagonal pyramids, edges with two equivalent P(2)Ti4W2 pentagonal pyramids, edges with four equivalent P(1)Ti2W4 pentagonal pyramids, and faces with two equivalent P(2)Ti4W2 pentagonal pyramids. is represented by the CIF file [CIF]
data_TiP2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.029
_cell_length_b   6.029
_cell_length_c   6.029
_cell_angle_alpha   149.059
_cell_angle_beta   148.386
_cell_angle_gamma   44.823
_symmetry_Int_Tables_number   1
_cell_volume   58.896
_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  0.003  0.003  0.000  1.0
  P  P1  1  0.335  0.835  0.500  1.0
  P  P2  1  0.583  0.583  0.000  1.0
  W  W3  1  0.748  0.248  0.500  1.0
[/CIF]
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