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