The crystal structure described by Ti6P2O crystallizes in the monoclinic C2/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to two equivalent P(1) and one O(1) atom. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to three equivalent P(1) and two equivalent O(1) atoms. In the third Ti site, Ti(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent P(1) atoms. P(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms. O(1) is bonded to two equivalent Ti(1) and four equivalent Ti(2) atoms to form edge-sharing OTi6 octahedra. is represented by the CIF file [CIF]
data_Ti6P2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   5.187
_cell_length_c   7.696
_cell_angle_alpha   88.843
_cell_angle_beta   88.843
_cell_angle_gamma   36.896
_symmetry_Int_Tables_number   1
_cell_volume   124.260
_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  0.555  0.555  0.760  1.0
  Ti  Ti1  1  0.445  0.445  0.240  1.0
  Ti  Ti2  1  0.862  0.862  0.547  1.0
  Ti  Ti3  1  0.138  0.138  0.453  1.0
  Ti  Ti4  1  0.861  0.861  0.944  1.0
  Ti  Ti5  1  0.139  0.139  0.056  1.0
  P  P6  1  0.251  0.251  0.751  1.0
  P  P7  1  0.749  0.749  0.249  1.0
  O  O8  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Ti6P2O crystallizes in the monoclinic C2/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to two equivalent P(1) and one O(1) atom. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to three equivalent P(1) and two equivalent O(1) atoms. In the third Ti site, Ti(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent P(1) atoms. P(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms. O(1) is bonded to two equivalent Ti(1) and four equivalent Ti(2) atoms to form edge-sharing OTi6 octahedra. is represented by the CIF file [CIF]
data_Ti6P2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   5.187
_cell_length_c   7.696
_cell_angle_alpha   88.843
_cell_angle_beta   88.843
_cell_angle_gamma   36.896
_symmetry_Int_Tables_number   1
_cell_volume   124.260
_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  0.555  0.555  0.760  1.0
  Ti  Ti1  1  0.445  0.445  0.240  1.0
  Ti  Ti2  1  0.862  0.862  0.547  1.0
  Ti  Ti3  1  0.138  0.138  0.453  1.0
  Ti  Ti4  1  0.861  0.861  0.944  1.0
  Ti  Ti5  1  0.139  0.139  0.056  1.0
  P  P6  1  0.251  0.251  0.751  1.0
  P  P7  1  0.749  0.749  0.249  1.0
  O  O8  1  0.500  0.500  0.500  1.0
[/CIF]
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