data_global _chemical_name_mineral 'Apexite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' 'Nash B P' 'Jensen M' 'Nikischer T' _journal_name_full 'American Mineralogist' _journal_volume 100 _journal_year 2015 _journal_page_first 2695 _journal_page_last 2701 _publ_section_title ; Apexite, NaMg(PO4)*9H2O, a new struvite-type phase with a heteropolyhedral cluster ; _database_code_amcsd 0020383 _chemical_compound_source 'Apex mine, Lander County, Nevada, USA' _chemical_formula_sum 'Na.91 Mg1.09 P O13 H18' _cell_length_a 6.9296 _cell_length_b 11.9767 _cell_length_c 14.9436 _cell_angle_alpha 92.109 _cell_angle_beta 102.884 _cell_angle_gamma 105.171 _cell_volume 1160.883 _exptl_crystal_density_diffrn 1.742 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_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_occupancy _atom_site_U_iso_or_equiv Na1 0.75380 0.00280 0.99880 0.91000 0.03900 Mg1 0.75380 0.00280 0.99880 0.09000 0.03900 Na2 0.98960 0.40030 0.58450 0.91000 0.03380 Mg2 0.98960 0.40030 0.58450 0.09000 0.03380 Mg3 0.85280 0.11630 0.60609 1.00000 0.02280 Mg4 0.20120 0.58290 0.79178 1.00000 0.02450 P1 0.70510 0.73255 0.66342 1.00000 0.01870 P2 0.48590 0.24050 0.76778 1.00000 0.02090 O1 0.52960 0.78630 0.62690 1.00000 0.02420 O2 0.89350 0.78560 0.62440 1.00000 0.02640 O3 0.62950 0.59920 0.63700 1.00000 0.02390 O4 0.77350 0.75650 0.77050 1.00000 0.02910 O5 0.43290 0.10760 0.76400 1.00000 0.02720 O6 0.34810 0.28500 0.81970 1.00000 0.03150 O7 0.44930 0.27870 0.66950 1.00000 0.03130 O8 0.71450 0.29640 0.81810 1.00000 0.02440 OW9 0.95740 0.22190 0.72560 1.00000 0.04080 H9A 0.08500 0.24200 0.76100 1.00000 0.06100 H9B 0.87700 0.23700 0.76100 1.00000 0.06100 OW10 0.74780 0.00780 0.48700 1.00000 0.03410 H10A 0.63000 0.00100 0.44600 1.00000 0.05100 H10B 0.82400 -0.02100 0.45500 1.00000 0.05100 OW11 0.61220 0.01500 0.65180 1.00000 0.03150 H11A 0.58400 -0.06100 0.65100 1.00000 0.04700 H11B 0.55800 0.04200 0.69400 1.00000 0.04700 OW12 0.04620 0.01410 0.65500 1.00000 0.03170 H12A 0.00300 -0.06200 0.65200 1.00000 0.04800 H12B 0.16500 0.04100 0.69200 1.00000 0.04800 OW13 0.08590 0.22360 0.55500 1.00000 0.02780 H13A 0.09700 0.21300 0.49800 1.00000 0.04200 H13B 0.21100 0.24000 0.59200 1.00000 0.04200 OW14 0.67260 0.22730 0.55640 1.00000 0.03030 H14A 0.60100 0.22400 0.49900 1.00000 0.04500 H14B 0.59400 0.24200 0.59300 1.00000 0.04500 OW15 0.20590 0.70140 0.69870 1.00000 0.05410 H15A 0.31200 0.72800 0.67400 1.00000 0.08100 H15B 0.10200 0.72400 0.66700 1.00000 0.08100 OW16 0.21020 0.45990 0.88420 1.00000 0.03660 H16A 0.27200 0.40700 0.87700 1.00000 0.05500 H16B 0.20600 0.47000 0.94200 1.00000 0.05500 OW17 0.94050 0.33150 0.13180 1.00000 0.03700 H17A 0.04900 0.31200 0.16600 1.00000 0.05500 H17B 0.89100 0.28000 0.08200 1.00000 0.05500 OW18 0.31720 0.48550 0.70950 1.00000 0.02610 H18A 0.36000 0.42200 0.72300 1.00000 0.03900 H18B 0.41300 0.52500 0.68000 1.00000 0.03900 OW19 0.50360 0.66500 0.86340 1.00000 0.04660 H19A 0.58900 0.67100 0.82500 1.00000 0.07000 H19B 0.51500 0.74000 0.87800 1.00000 0.07000 OW20 0.90060 0.48370 0.72120 1.00000 0.02750 H20A 0.84200 0.43500 0.75600 1.00000 0.04100 H20B 0.80500 0.51400 0.69100 1.00000 0.04100 OW21 0.71990 -0.19400 0.02420 1.00000 0.03720 H21A 0.84100 -0.20900 0.03800 1.00000 0.05600 H21B 0.67000 -0.21600 0.07300 1.00000 0.05600 OW22 0.86930 0.20000 0.96910 1.00000 0.03430 H22A 0.84200 0.24300 0.92300 1.00000 0.05100 H22B 0.00000 0.21300 0.98700 1.00000 0.05100 OW23 0.57660 0.04840 0.11050 1.00000 0.04030 H23A 0.64000 0.11400 0.14800 1.00000 0.06000 H23B 0.56200 -0.00700 0.14900 1.00000 0.06000 OW24 0.92680 -0.03270 0.87720 1.00000 0.04190 H24A 0.89200 -0.10100 0.84200 1.00000 0.06300 H24B 0.92200 0.02000 0.83600 1.00000 0.06300 OW25 0.76610 0.50040 0.50140 1.00000 0.03280 H25A 0.64600 0.46800 0.46100 1.00000 0.04900 H25B 0.73000 0.54000 0.54400 1.00000 0.04900 OW26 0.25750 0.49810 0.07300 1.00000 0.03990 H26A 0.29100 0.57000 0.10000 1.00000 0.06000 H26B 0.15200 0.45700 0.09200 1.00000 0.06000 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 Na1 0.03780 0.03600 0.04300 0.00980 0.00950 0.00260 Mg1 0.03780 0.03600 0.04300 0.00980 0.00950 0.00260 Na2 0.03170 0.03270 0.03700 0.01140 0.00700 0.00050 Mg2 0.03170 0.03270 0.03700 0.01140 0.00700 0.00050 Mg3 0.02150 0.02380 0.02110 0.00420 0.00390 0.00080 Mg4 0.02350 0.02470 0.02620 0.00610 0.00790 0.00510 P1 0.01740 0.02080 0.01900 0.00690 0.00460 0.00110 P2 0.01740 0.02140 0.02240 0.00380 0.00360 0.00100 O1 0.02300 0.02600 0.02800 0.01500 0.00500 0.00400 O2 0.02600 0.02700 0.02700 0.00800 0.00800 0.00300 O3 0.03000 0.01600 0.02400 0.00500 0.00600 -0.00400 O4 0.03000 0.03300 0.02400 0.00700 0.00600 0.00100 O5 0.03300 0.02100 0.02500 0.00400 0.00700 -0.00200 O6 0.02200 0.03600 0.03800 0.01100 0.00800 -0.00600 O7 0.02900 0.03900 0.02200 0.00500 0.00200 0.00900 O8 0.01900 0.02500 0.02800 0.00400 0.00400 0.00400 OW9 0.02300 0.05500 0.03800 0.01100 -0.00100 -0.02500 OW10 0.02400 0.04600 0.02900 0.01200 0.00000 -0.01700 OW11 0.03600 0.02100 0.04200 0.00800 0.02000 0.00000 OW12 0.02700 0.01700 0.04500 0.00100 0.00000 0.00400 OW13 0.02200 0.03900 0.02100 0.00500 0.00700 0.00700 OW14 0.02900 0.03900 0.02500 0.01500 0.00400 0.00500 OW15 0.03800 0.06500 0.08200 0.02900 0.03500 0.05600 OW16 0.05100 0.04000 0.02600 0.02100 0.01300 0.00700 OW17 0.03600 0.04300 0.03000 0.01500 0.00100 -0.00700 OW18 0.03100 0.01700 0.03500 0.01400 0.01000 0.01200 OW19 0.03800 0.05300 0.03600 -0.00800 0.01200 -0.01500 OW20 0.02400 0.03500 0.02500 0.01000 0.00600 0.01200 OW21 0.03800 0.04400 0.03200 0.01400 0.01000 0.00400 OW22 0.03900 0.03700 0.02700 0.01600 0.00100 0.00500 OW23 0.04800 0.03300 0.03700 0.00800 0.00800 0.01000 OW24 0.04900 0.03600 0.03300 0.00500 0.00400 -0.00800 OW25 0.02900 0.04100 0.02900 0.01400 0.00400 -0.00600 OW26 0.05000 0.03200 0.03400 0.00300 0.01400 0.00100