data_global _amcsd_formula_title '(NH4)NaMg2(PO4)2*14H2O' loop_ _publ_author_name 'Yang H' 'Martinelli L' 'Tasso F' 'Sprocati A R' 'Pinzari F' 'Liu Z' 'Downs R T' 'Sun H J' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 1761 _journal_page_last 1766 _publ_section_title ; A new biogenic, struvite-related phosphate, the ammonium-analog of hazenite, (NH4)NaMg2(PO4)2*14H2O ; _database_code_amcsd 0020336 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(N.784 K.216) Na Mg2 P2 O22 H28' _cell_length_a 6.9661 _cell_length_b 25.236 _cell_length_c 11.2919 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1985.077 _exptl_crystal_density_diffrn 1.784 _symmetry_space_group_name_H-M 'P m n b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,1/2+y,1/2-z' '-x,1/2-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_occupancy _atom_site_U_iso_or_equiv N 0.75000 0.22146 0.49832 0.78400 0.03860 K 0.75000 0.22146 0.49832 0.21600 0.03860 Na 0.75000 0.00057 0.92664 1.00000 0.03670 Mg1 0.75000 0.95466 0.63939 1.00000 0.01430 Mg2 0.75000 0.22385 0.83704 1.00000 0.01600 P1 0.25000 0.12865 0.72105 1.00000 0.01490 P2 0.75000 0.12589 0.21724 1.00000 0.01420 O1 0.25000 0.13574 0.85720 1.00000 0.02150 O2 0.25000 0.18372 0.66140 1.00000 0.02220 O3 0.43170 0.09817 0.68450 1.00000 0.02010 O4 0.75000 0.06616 0.19070 1.00000 0.02410 O5 0.75000 0.13598 0.35150 1.00000 0.02190 O6 0.93110 0.15090 0.16160 1.00000 0.01920 O7 0.75000 0.00987 0.50720 1.00000 0.02920 O8 0.75000 0.89480 0.76150 1.00000 0.03660 O9 0.53590 0.91630 0.54490 1.00000 0.02530 O10 0.95860 0.99535 0.73730 1.00000 0.02330 O11 0.53410 0.25019 0.72620 1.00000 0.02920 O12 0.96440 0.19572 0.94840 1.00000 0.02380 O13 0.75000 0.15560 0.72950 1.00000 0.02810 O14 0.75000 0.29694 0.92750 1.00000 0.03760 O15 0.01140 0.05941 0.98120 1.00000 0.03290 H11 0.83400 0.02600 0.48700 1.00000 0.04000 H21 0.84300 0.88000 0.78900 1.00000 0.04000 H31 0.45300 0.89900 0.57300 1.00000 0.04000 H32 0.54600 0.90900 0.47300 1.00000 0.04000 H41 0.06600 0.97600 0.75700 1.00000 0.04000 H42 0.99400 0.02500 0.72700 1.00000 0.04000 H51 0.44600 0.22800 0.71500 1.00000 0.04000 H52 0.51200 0.27700 0.71700 1.00000 0.04000 H61 0.93200 0.18200 0.01600 1.00000 0.04000 H62 0.05300 0.17400 0.91800 1.00000 0.04000 H71 0.84100 0.13600 0.72600 1.00000 0.04000 H81 0.75000 0.31700 0.89600 1.00000 0.04000 H82 0.75000 0.30000 0.01100 1.00000 0.04000 H91 0.05300 0.08100 0.94600 1.00000 0.04000 H92 0.96000 0.07600 0.03800 1.00000 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 N 0.05050 0.02950 0.03560 0.00000 0.00000 -0.00800 K 0.05050 0.02950 0.03560 0.00000 0.00000 -0.00800 Na 0.02800 0.04200 0.04010 0.00000 0.00000 0.01140 Mg1 0.01390 0.01420 0.01490 0.00000 0.00000 0.00210 Mg2 0.01850 0.01520 0.01410 0.00000 0.00000 0.00070 P1 0.01570 0.01520 0.01390 0.00000 0.00000 -0.00090 P2 0.01320 0.01470 0.01450 0.00000 0.00000 0.00230 O1 0.02300 0.02890 0.01270 0.00000 0.00000 -0.00190 O2 0.02690 0.01790 0.02180 0.00000 0.00000 0.00190 O3 0.01720 0.02060 0.02240 0.00240 0.00020 -0.00290 O4 0.02290 0.01530 0.03410 0.00000 0.00000 -0.00010 O5 0.02240 0.02810 0.01510 0.00000 0.00000 0.00070 O6 0.01620 0.02160 0.01980 -0.00140 0.00190 0.00620 O7 0.02070 0.03180 0.03520 0.00000 0.00000 0.01800 O8 0.01450 0.04690 0.04840 0.00000 0.00000 0.03360 O9 0.02370 0.03490 0.01730 -0.01070 0.00280 -0.00100 O10 0.02030 0.01940 0.03020 -0.00160 -0.00640 0.00010 O11 0.03060 0.01820 0.03870 0.00040 0.01240 0.00700 O12 0.02730 0.02670 0.01740 0.00480 0.00000 0.00220 O13 0.01710 0.02550 0.04170 0.00000 0.00000 -0.01290 O14 0.06810 0.01710 0.02760 0.00000 0.00000 -0.00190 O15 0.04210 0.02720 0.02930 -0.00030 0.00930 -0.00190