The material structure described by TiPN3 crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded to one N(2) and four equivalent N(1) atoms to form distorted TiN5 square pyramids that share corners with six equivalent P(1)N4 tetrahedra and edges with two equivalent Ti(1)N5 square pyramids. P(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form PN4 tetrahedra that share corners with six equivalent Ti(1)N5 square pyramids and corners with two equivalent P(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one P(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiPN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.054
_cell_length_c   2.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.150
_symmetry_Int_Tables_number   1
_cell_volume   65.010
_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  0.421  0.579  0.000  1.0
  P  P1  1  0.074  0.925  0.500  1.0
  N  N2  1  0.719  0.772  0.500  1.0
  N  N3  1  0.186  0.814  0.000  1.0
  N  N4  1  0.228  0.281  0.500  1.0
[/CIF]
.
The material structure described by TiPN3 crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded to one N(2) and four equivalent N(1) atoms to form distorted TiN5 square pyramids that share corners with six equivalent P(1)N4 tetrahedra and edges with two equivalent Ti(1)N5 square pyramids. P(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form PN4 tetrahedra that share corners with six equivalent Ti(1)N5 square pyramids and corners with two equivalent P(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one P(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiPN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.054
_cell_length_c   2.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.150
_symmetry_Int_Tables_number   1
_cell_volume   65.010
_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  0.421  0.579  0.000  1.0
  P  P1  1  0.074  0.925  0.500  1.0
  N  N2  1  0.719  0.772  0.500  1.0
  N  N3  1  0.186  0.814  0.000  1.0
  N  N4  1  0.228  0.281  0.500  1.0
[/CIF]
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