data_global _chemical_name_mineral 'Rimkorolgite' loop_ _publ_author_name 'Krivovichev S V' 'Britvin S N' 'Burns P C' 'Yakovenchuk V N' _journal_name_full 'European Journal of Mineralogy' _journal_volume 14 _journal_year 2002 _journal_page_first 397 _journal_page_last 402 _publ_section_title ; Crystal structure of rimkorolgite, Ba[Mg5(H2O)7(PO4)4](H2O), and its comparison with bakhchisaraitsevite ; _database_code_amcsd 0006928 _chemical_formula_sum 'Ba Mg5 P4 (O24 H16)' _cell_length_a 8.3354 _cell_length_b 12.8304 _cell_length_c 18.313 _cell_angle_alpha 90 _cell_angle_beta 90.025 _cell_angle_gamma 90 _cell_volume 1958.511 _exptl_crystal_density_diffrn 2.655 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,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_U_iso_or_equiv Ba 0.23818 0.08279 0.00270 0.01680 Mg1 -0.28040 0.18660 -0.06810 0.00600 Mg2 0.19510 -0.07580 -0.22920 0.01440 Mg3 -0.19790 -0.08170 -0.24580 0.01130 Mg4 -0.29560 -0.31270 -0.26910 0.01030 Mg5 0.31290 -0.30530 -0.24570 0.00930 P1 -0.02130 0.09410 -0.14700 0.01060 P2 -0.01080 -0.25560 -0.14990 0.00970 P3 0.49000 -0.02280 0.14849 0.00970 P4 0.51250 0.14080 0.34730 0.01050 Wat1 0.36840 0.21500 0.53380 0.02860 Wat2 0.25300 -0.44560 -0.19040 0.01260 O3 -0.05360 0.06700 -0.06790 0.01690 O4 -0.01430 -0.00330 -0.19630 0.01060 Wat5 -0.24620 -0.44720 -0.20510 0.01220 O6 0.44840 -0.06320 0.07110 0.01000 O7 0.14850 -0.22190 -0.18600 0.01060 O8 -0.02960 -0.20060 -0.07670 0.01350 O9 0.64520 0.15930 0.28980 0.01100 O10 0.13340 0.15490 -0.15200 0.01780 O11 -0.14800 -0.22770 -0.20160 0.01310 Wat12 0.51260 -0.26300 -0.17490 0.01530 O13 -0.16600 0.16250 -0.16940 0.01420 O14 0.36450 0.05920 0.16970 0.01360 O15 0.34990 0.16950 0.31260 0.01060 O16 0.49580 -0.11570 0.20220 0.01100 O17 0.51120 0.02410 0.37000 0.01310 Wat18 -0.00500 0.37530 -0.18110 0.01760 Wat19 -0.27040 0.15430 0.03880 0.02790 O20 0.65680 0.02900 0.14670 0.01320 O21 -0.00720 -0.37580 -0.13750 0.01340 Wat22 0.70630 0.00640 0.49300 0.07000 O23 0.54850 0.20830 0.41490 0.01500 Wat24 -0.11510 0.31300 -0.03760 0.02420 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 Ba 0.01320 0.01690 0.02020 0.00090 -0.00140 0.00030 Mg1 0.00600 0.00510 0.00670 -0.00110 0.00120 0.00120 Mg2 0.00790 0.00850 0.01770 0.00100 0.00010 0.00010 Mg3 0.00930 0.00940 0.01510 -0.00100 0.00160 -0.00240 Mg4 0.00930 0.00660 0.01520 -0.00040 -0.00140 -0.00050 Mg5 0.00880 0.00770 0.01150 -0.00100 0.00220 -0.00090 P1 0.00890 0.00950 0.01350 -0.00030 -0.00010 -0.00060 P2 0.00790 0.01070 0.01040 -0.00120 -0.00030 -0.00030 P3 0.00920 0.00840 0.01150 0.00020 0.00030 0.00220 P4 0.00780 0.01110 0.01260 -0.00170 0.00020 -0.00050 Wat1 0.03400 0.02000 0.03100 -0.00100 0.00400 0.00200 Wat2 0.01400 0.00800 0.01600 -0.00100 -0.00100 -0.00300 O3 0.01800 0.01600 0.01700 -0.00400 0.00000 -0.00100 O4 0.00900 0.00900 0.01400 0.00100 -0.00300 -0.00600 Wat5 0.01200 0.00800 0.01700 0.00100 0.00000 0.00000 O6 0.01600 0.00600 0.00700 0.00000 -0.00100 0.00200 O7 0.00700 0.00800 0.01700 -0.00300 0.00500 -0.00100 O8 0.01400 0.01500 0.01200 0.00400 0.00400 -0.00400 O9 0.00800 0.00900 0.01500 -0.00100 0.00600 0.00300 O10 0.01800 0.01500 0.02100 -0.00900 0.00500 -0.00200 O11 0.01300 0.01300 0.01300 0.00200 -0.00300 0.00200 Wat12 0.01200 0.01600 0.01800 0.00100 0.00200 -0.00400 O13 0.01100 0.01700 0.01500 0.00600 -0.00300 0.00000 O14 0.01200 0.00600 0.02300 0.00300 0.00600 0.00000 O15 0.00700 0.01000 0.01500 0.00500 -0.00300 0.00100 O16 0.00800 0.01100 0.01400 0.00100 -0.00300 0.00400 O17 0.01400 0.00500 0.02000 -0.00400 0.00200 0.00300 Wat18 0.01700 0.01500 0.02200 -0.00100 0.00400 0.00000 Wat19 0.02000 0.03900 0.02500 -0.01900 -0.01400 -0.00500 O20 0.00900 0.01200 0.01800 -0.00300 -0.00100 0.00100 O21 0.01100 0.01100 0.01900 -0.00200 0.00400 0.00400 Wat22 0.09100 0.04400 0.07400 -0.01200 -0.03900 0.03000 O23 0.01800 0.00700 0.02000 -0.00300 0.00200 -0.00500 Wat24 0.02800 0.02100 0.02400 -0.00100 -0.00300 -0.00300