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 = 6.3 GPa ; _database_code_amcsd 0013281 _chemical_formula_sum 'K Ti P O5' _cell_length_a 12.490 _cell_length_b 6.324 _cell_length_c 10.069 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 795.318 _exptl_crystal_density_diffrn 3.306 _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 0.39640 0.77790 0.63090 K2 0.11380 0.70130 0.86710 Ti1 0.37120 0.48860 -0.00040 Ti2 0.27990 0.25670 0.72310 P1 0.52850 0.32170 0.76030 P2 0.17960 0.48110 0.47710 O1 0.51580 0.41860 0.89810 O2 0.54090 0.50450 0.65970 O3 0.43280 0.18490 0.71300 O4 0.62800 0.18400 0.75650 O5 0.09860 0.29670 0.46870 O6 0.12250 0.67530 0.52720 O7 0.23020 0.51250 0.33540 O8 0.27660 0.43480 0.56490 OT1 0.18830 0.97200 0.32470 OT2 0.24920 0.03760 0.57820