data_global _chemical_name_mineral 'K2Zn(H2P2O7)2*2H2O' loop_ _publ_author_name 'Tahiri A A' 'ouarsal R' 'Lachkar M' 'Zavalij P Y' 'El Bali B' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 59 _journal_year 2003 _journal_page_first i50 _journal_page_last i52 _publ_section_title ; Dipotassium zinc bis(dihydrogendiphosphate) dihydrate, K2Zn(H2P2O7)2*2H2O ; _chemical_formula_sum 'K2 Zn O16 H8 P4' _cell_length_a 6.827 _cell_length_b 7.333 _cell_length_c 7.570 _cell_angle_alpha 80.753 _cell_angle_beta 72.547 _cell_angle_gamma 83.442 _cell_volume 355.949 _exptl_crystal_density_diffrn 2.480 _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K1 0.89203 0.26588 0.70406 0.03300 Zn1 0.50000 0.50000 0.50000 0.01720 O1W 0.54960 0.70840 0.26590 0.02490 H1W 0.61160 0.66200 0.17120 0.06000 H2W 0.59710 0.79500 0.27870 0.10000 P1 0.32331 0.27285 0.24797 0.01650 P2 0.75109 0.18972 0.24168 0.01570 O1 0.56230 0.23170 0.15280 0.02220 O2 0.29360 0.39260 0.39670 0.01890 O3 0.23760 0.34990 0.09070 0.02160 O4 0.23620 0.08150 0.33590 0.02460 H4 0.24920 0.05490 0.44140 0.10000 O5 0.74180 0.32760 0.37080 0.02230 O6 0.93030 0.21440 0.06150 0.02200 H6 0.01680 0.27380 0.07750 0.07000 O7 0.74670 -0.00920 0.33070 0.02570 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 0.04220 0.02720 0.03470 0.00500 -0.01930 -0.00880 Zn1 0.02180 0.01350 0.01990 -0.00220 -0.00850 -0.00690 O1W 0.03400 0.01900 0.02200 -0.00680 -0.00570 -0.00450 P1 0.01890 0.01520 0.01820 -0.00250 -0.00770 -0.00530 P2 0.01810 0.01470 0.01630 -0.00240 -0.00550 -0.00590 O1 0.01930 0.03100 0.02000 -0.00030 -0.00820 -0.01060 O2 0.02050 0.01590 0.02610 -0.00120 -0.00960 -0.01350 O3 0.02230 0.02500 0.02060 -0.00450 -0.01140 0.00160 O4 0.03900 0.01610 0.02430 -0.00840 -0.01570 -0.00060 O5 0.02590 0.02090 0.02610 -0.00240 -0.01020 -0.01440 O6 0.02210 0.02800 0.01920 -0.01070 -0.00510 -0.00830 O7 0.03600 0.02000 0.02180 -0.00590 -0.01020 0.00040