data_global _amcsd_formula_title 'KSnOPO4' loop_ _publ_author_name 'Thomas P A' 'Glazer A M' 'Watts B E' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 46 _journal_year 1990 _journal_page_first 333 _journal_page_last 343 _publ_section_title ; Crystal structure and nonlinear optical properties of KSnOPO4 and their comparison with KTiOPO4 Note: KTP structure ; _database_code_amcsd 0009840 _chemical_formula_sum 'K Sn P O5' _cell_length_a 13.145 _cell_length_b 6.526 _cell_length_c 10.738 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 921.151 _exptl_crystal_density_diffrn 3.876 _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 0.37530 0.77710 0.69830 K2 0.10890 0.69300 0.93930 Sn1 0.37290 0.49760 0.00020 Sn2 0.24870 0.25440 0.74960 P1 0.50120 0.34110 0.75200 P2 0.17580 0.50170 0.49700 OS1 0.22850 0.98270 0.36440 OS2 0.73470 0.46590 0.62660 O1 0.48780 0.48830 0.86560 O2 0.98560 0.97820 0.13710 O3 0.40830 0.20510 0.72930 O4 0.90860 0.70300 0.27340 O5 0.10620 0.31600 0.47610 O6 0.60740 0.81370 0.52330 O7 0.24500 0.53180 0.38430 O8 0.74850 0.02820 0.60850 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K1 0.01710 0.00890 0.02430 0.00500 -0.00380 -0.00030 K2 0.01260 0.02100 0.03070 0.00630 0.00010 0.00010 Sn1 0.00280 0.00190 0.00360 0.00030 -0.00030 -0.00060 Sn2 0.00250 0.00330 0.00380 -0.00040 -0.00060 -0.00030 P1 0.00330 0.00490 0.00570 0.00040 0.00120 -0.00300 P2 0.00380 0.00300 0.00620 -0.00140 -0.00400 0.00050 OS1 0.00900 0.00700 0.01100 0.00000 0.00480 -0.00200 OS2 0.00900 0.00700 0.01100 0.00000 -0.00480 0.00200 O1 0.00900 0.00900 0.01000 -0.00400 0.00370 -0.00290 O2 0.00900 0.00900 0.01000 -0.00400 -0.00370 0.00290 O3 0.00200 0.01000 0.01400 0.00100 -0.00220 -0.00300 O4 0.00200 0.01000 0.01400 0.00100 0.00220 0.00300 O5 0.01100 0.00700 0.00800 0.00000 -0.00310 -0.00100 O6 0.01100 0.00700 0.00800 0.00000 0.00310 0.00100 O7 0.01000 0.01200 0.01200 0.00200 0.00330 0.00600 O8 0.01000 0.01200 0.01200 0.00200 -0.00330 -0.00600