data_global
_amcsd_formula_title 'K1.75 O12 P3 Ti2'
loop_
_publ_author_name
'Leclaire A'
'Benmoussa A'
'Borel M'
'Grandin A'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 78 
_journal_year 1989
_journal_page_first 227
_journal_page_last 231
_publ_section_title
;
 K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence
 Nonstoichiometric Titanophosphate with Langbeinite Structure
 _cod_database_code 1001395
;
_database_code_amcsd 0013636
_chemical_formula_sum 'Ti2 K1.75 P3 O12'
_cell_length_a 9.8559
_cell_length_b 9.8559
_cell_length_c 9.8559
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 957.390
_exptl_crystal_density_diffrn      3.116
_symmetry_space_group_name_H-M 'P 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1   0.58721   0.58721   0.58721   1.00000
Ti2   0.85809   0.85809   0.85809   1.00000
K1   0.29175   0.29175   0.29175   1.00000
K2   0.06618   0.06618   0.06618   0.75000
P1   0.27407  -0.37213   0.45889   1.00000
O1   0.00066   0.07490   0.35238   1.00000
O2   0.26636  -0.42225   0.31360   1.00000
O3   0.47087   0.05361   0.29809   1.00000
O4   0.20400  -0.23500   0.47771   1.00000