data_KTi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2P
_chemical_formula_sum   'K1 Ti2 P1'
_cell_volume   89.6
_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
  K  K0  1  0.0  0.0  0.81  1.0
  Ti  Ti2  1  0.94  0.0  0.47  1.0
  Ti  Ti3  1  0.94  0.0  0.16  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_KTi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTi2P
_chemical_formula_sum   'K1 Ti2 P1'
_cell_volume   89.6
_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
  K  K0  1  0.0  0.0  0.81  1.0
  Ti  Ti1  1  0.94  0.0  0.16  1.0
  Ti  Ti2  1  0.94  0.0  0.47  1.0
  P  P3  1  0.0  0.0  0.0  1.0

K Ti Ti P
K Ti Ti P 0 3 o o + 0 1 - o o 1 1 o + o 1 1 + o o 1 2 o o o 2 3 + o o 
KTi2P crystallizes in the triclinic P1 space group. K(1) is bonded in a single-bond geometry to one Ti(1) and one P(1) atom. The K(1)-Ti(1) bond length is 3.32 Å. The K(1)-P(1) bond length is 1.82 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one K(1), one Ti(2), and four equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing TiKTi5 octahedra. The corner-sharing octahedra are not tilted. The Ti(1)-Ti(2) bond length is 2.99 Å. All Ti(1)-Ti(1) bond lengths are 3.09 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) and one P(1) atom. The Ti(2)-P(1) bond length is 1.51 Å. P(1) is bonded in a linear geometry to one K(1) and one Ti(2) atom.