The material described by TiMoP2 crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded to six equivalent P(1) atoms to form TiP6 octahedra that share corners with twelve equivalent Mo(1)P6 octahedra, edges with six equivalent Ti(1)P6 octahedra, and faces with two equivalent Mo(1)P6 octahedra. The corner-sharing octahedral tilt angles are 44°. Mo(1) is bonded to six equivalent P(1) atoms to form MoP6 octahedra that share corners with twelve equivalent Ti(1)P6 octahedra, edges with six equivalent Mo(1)P6 octahedra, and faces with two equivalent Ti(1)P6 octahedra. The corner-sharing octahedral tilt angles are 44°. P(1) is bonded in a 6-coordinate geometry to three equivalent Ti(1) and three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_TiMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.240
_cell_length_b   3.240
_cell_length_c   6.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   59.268
_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  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.333  0.667  0.250  1.0
  P  P3  1  0.667  0.333  0.750  1.0
[/CIF]
.
The material described by TiMoP2 crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded to six equivalent P(1) atoms to form TiP6 octahedra that share corners with twelve equivalent Mo(1)P6 octahedra, edges with six equivalent Ti(1)P6 octahedra, and faces with two equivalent Mo(1)P6 octahedra. The corner-sharing octahedral tilt angles are 44°. Mo(1) is bonded to six equivalent P(1) atoms to form MoP6 octahedra that share corners with twelve equivalent Ti(1)P6 octahedra, edges with six equivalent Mo(1)P6 octahedra, and faces with two equivalent Ti(1)P6 octahedra. The corner-sharing octahedral tilt angles are 44°. P(1) is bonded in a 6-coordinate geometry to three equivalent Ti(1) and three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_TiMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.240
_cell_length_b   3.240
_cell_length_c   6.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   59.268
_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  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.333  0.667  0.250  1.0
  P  P3  1  0.667  0.333  0.750  1.0
[/CIF]
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