data_global _chemical_name_mineral 'Hazenite' loop_ _publ_author_name 'Yang H' 'Sun H J' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 177 _journal_year 2004 _journal_page_first 2991 _journal_page_last 2997 _publ_section_title ; Crystal structure of a new phosphate compound, Mg2KNa(PO4)2*14H2O ; _database_code_amcsd 0014049 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K Na Mg2 P2 O22 H28' _cell_length_a 25.1754 _cell_length_b 6.9316 _cell_length_c 11.2189 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1957.763 _exptl_crystal_density_diffrn 1.876 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 K 0.22140 0.75000 0.50220 0.04010 Na 0.00030 0.75000 0.92600 0.03440 Mg1 0.95420 0.75000 0.63870 0.01500 Mg2 0.22360 0.75000 0.83680 0.01650 P1 0.12810 0.25000 0.72220 0.01480 P2 0.12730 0.75000 0.22050 0.01440 O1 0.13600 0.25000 0.85840 0.02510 O2 0.18290 0.25000 0.66100 0.02490 O3 0.09740 0.43190 0.68590 0.02300 O4 0.06760 0.75000 0.19480 0.02690 O5 0.13820 0.75000 0.35490 0.02360 O6 0.15210 0.93130 0.16360 0.02280 Ow1 0.00960 0.75000 0.50650 0.03160 Ow2 0.89400 0.75000 0.76110 0.03770 Ow3 0.91600 0.53480 0.54430 0.02660 Ow4 0.99470 0.95820 0.73740 0.02590 Ow5 0.24940 0.53580 0.72320 0.03080 Ow6 0.19660 0.96640 0.94920 0.02740 Ow7 0.15510 0.75000 0.73110 0.03160 Ow8 0.29730 0.75000 0.92590 0.04090 Ow9 0.05970 0.00980 0.98260 0.03560 H11 0.03000 0.83700 0.48500 0.04000 H21 0.88000 0.85400 0.79200 0.04000 H31 0.89300 0.44800 0.57500 0.04000 H32 0.90600 0.55000 0.46500 0.04000 H41 0.97400 0.05400 0.75700 0.04000 H42 0.02900 0.99800 0.72800 0.04000 H51 0.22800 0.43700 0.70800 0.04000 H52 0.28100 0.49400 0.71400 0.04000 H61 0.17900 0.93800 0.02000 0.04000 H62 0.17800 0.05300 0.92000 0.04000 H71 0.13400 0.84900 0.72100 0.04000 H81 0.32400 0.75000 0.90000 0.04000 H82 0.30300 0.75000 0.01200 0.04000 H91 0.08200 0.06700 0.94500 0.04000 H92 0.07800 0.95700 0.03600 0.04000 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 K 0.03080 0.05420 0.03530 0.00000 -0.00890 0.00000 Na 0.04060 0.02700 0.03550 0.00000 0.00730 0.00000 Mg1 0.01540 0.01360 0.01590 0.00000 0.00070 0.00000 Mg2 0.01610 0.01840 0.01500 0.00000 0.00060 0.00000 P1 0.01550 0.01590 0.01300 0.00000 -0.00060 0.00000 P2 0.01560 0.01280 0.01490 0.00000 0.00130 0.00000 O1 0.03180 0.02720 0.01640 0.00000 -0.00270 0.00000 O2 0.02200 0.02840 0.02430 0.00000 0.00140 0.00000 O3 0.02340 0.01990 0.02580 0.00070 -0.00170 0.00070 O4 0.02000 0.02660 0.03410 0.00000 -0.00220 0.00000 O5 0.03000 0.02260 0.01830 0.00000 0.00060 0.00000 O6 0.02740 0.01840 0.02260 -0.00120 0.00380 0.00120 Ow1 0.03120 0.02270 0.04090 0.00000 0.01540 0.00000 Ow2 0.04800 0.01690 0.04800 0.00000 0.02970 0.00000 Ow3 0.03530 0.02380 0.02080 -0.00820 -0.00130 0.00180 Ow4 0.02080 0.02270 0.03430 -0.00010 0.00020 -0.00560 Ow5 0.02240 0.03000 0.04000 0.00130 0.00350 -0.01150 Ow6 0.03160 0.02850 0.02200 0.00540 0.00290 0.00030 Ow7 0.02503 0.02200 0.04780 0.00000 -0.01190 0.00000 Ow8 0.01990 0.07430 0.02850 0.00000 -0.00180 0.00000 Ow9 0.03140 0.04350 0.03190 -0.00170 -0.00320 0.00840