data_global
_amcsd_formula_title 'KTiOPO4:'
loop_
_publ_author_name
'Allan D R'
'Nelmes R J'
_journal_name_full 'Journal of Physics: Condensed Matter'
_journal_volume 8 
_journal_year 1996
_journal_page_first 2337
_journal_page_last 2363
_publ_section_title
;
 The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa
 Sample: P = 8.2 GPa
;
_database_code_amcsd 0013282
_chemical_formula_sum 'K Ti P O5'
_cell_length_a 12.387
_cell_length_b 6.311
_cell_length_c 9.966
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 779.086
_exptl_crystal_density_diffrn      3.375
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1   0.39690   0.77660   0.63210
K2   0.11440   0.69990   0.86500
Ti1   0.37160   0.48900  -0.00040
Ti2   0.28390   0.25530   0.72210
P1   0.53240   0.31990   0.76380
P2   0.17930   0.47910   0.47780
O1   0.52080   0.41440   0.90380
O2   0.54380   0.50380   0.66270
O3   0.43750   0.17950   0.71650
O4   0.63350   0.18330   0.75830
O5   0.09730   0.29670   0.47260
O6   0.12330   0.67730   0.52920
O7   0.22720   0.50850   0.33150
O8   0.27820   0.43630   0.56520
OT1   0.18310   0.97260   0.32370
OT2   0.25090   0.03700   0.57400