data_global _chemical_name_mineral 'Jinshajiangite' loop_ _publ_author_name 'Sokolova E' 'Camara F' 'Hawthorne F C' 'Abdu Y' _journal_name_full 'European Journal of Mineralogy' _journal_volume 21 _journal_year 2009 _journal_page_first 871 _journal_page_last 883 _publ_section_title ; From structure topology to chemical composition. VII. Titanium silicates: the crystal structure and crystal chemistry of jinshajiangite ; _database_code_amcsd 0007327 _chemical_compound_source 'Norra Karr, Tonkoping province, Sweden' _chemical_formula_sum 'Fe12.64 Mg.4 Mn2.52 Zr.16 Na2.68 Ti8 Si16 Ba2.32 K1.44 Ca1.6 O73.28 F2.72 H9.28' _cell_length_a 10.6785 _cell_length_b 13.786 _cell_length_c 20.700 _cell_angle_alpha 90 _cell_angle_beta 94.937 _cell_angle_gamma 90 _cell_volume 3036.020 _exptl_crystal_density_diffrn 3.758 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 FeMO(1) 0.12348 0.00000 0.74395 1.00000 0.00760 FeMO(2) 0.37436 0.00000 0.25460 0.90000 0.00790 MgMO(2) 0.37436 0.00000 0.25460 0.10000 0.00790 FeMO(3) 0.37433 0.12400 0.75126 0.95000 0.00910 MgMO(3) 0.37433 0.12400 0.75126 0.05000 0.00910 FeMO(4) 0.37424 0.24820 0.24466 0.77000 0.00870 MnMO(4) 0.37424 0.24820 0.24466 0.23000 0.00870 FeMO(5) 0.12389 0.12619 0.25122 0.49000 0.01150 MnMO(5) 0.12389 0.12619 0.25122 0.40000 0.01150 ZrMO(5) 0.12389 0.12619 0.25122 0.04000 0.01150 NaMO(5) 0.12389 0.12619 0.25122 0.07000 0.01150 TiMH(1) 0.26682 0.00000 0.60285 1.00000 0.04740 TiMH(2) 0.23339 0.00000 0.39818 1.00000 0.04490 TiMH(3) 0.48335 0.23021 0.89798 1.00000 0.00220 Si(1) 0.01953 0.14135 0.61950 1.00000 0.01360 Si(2) 0.25761 0.10891 0.11917 1.00000 0.00500 Si(3) 0.21756 0.10937 0.88055 1.00000 0.00480 Si(4) 0.47947 0.13996 0.37992 1.00000 0.01330 BaAP(1) 0.50000 0.00000 0.00000 1.00000 0.00550 BaAP(2) 0.25000 0.25000 0.50000 0.52000 0.02030 KAP(2) 0.25000 0.25000 0.50000 0.36000 0.02030 KAP(3) 0.00000 0.03820 0.00000 0.36000 0.02850 BaAP(3) 0.00000 0.03820 0.00000 0.14000 0.02850 NaBP(1) 0.50000 0.00000 0.50000 0.60000 0.02710 CaBP(1) 0.50000 0.00000 0.50000 0.40000 0.02710 NaBP(2) 0.00000 0.00000 0.50000 0.60000 0.02450 CaBP(2) 0.00000 0.00000 0.50000 0.40000 0.02450 NaBP(3) 0.25000 0.25000 0.00000 0.60000 0.01920 CaBP(3) 0.25000 0.25000 0.00000 0.40000 0.01920 O(1) 0.20810 0.00000 0.09910 1.00000 0.00830 O(2) 0.35900 0.12540 0.91230 1.00000 0.00700 O(3) 0.14890 0.17870 0.08690 1.00000 0.00800 O(4) 0.17380 0.00000 0.89900 1.00000 0.00600 O(5) 0.38790 0.12520 0.08720 1.00000 0.00810 O(6) 0.12010 0.17830 0.91380 1.00000 0.00690 O(7) 0.27490 0.11930 0.19730 1.00000 0.01110 O(8) 0.21280 0.12070 0.80250 1.00000 0.01470 O(9) 0.03550 0.13040 0.69840 1.00000 0.00850 O(10) 0.46150 0.12790 0.30120 1.00000 0.00750 O(11) 0.10560 0.09610 0.41410 1.00000 0.07800 O(12A) 0.42540 0.24970 0.40040 0.50000 0.00990 O(12B) 0.45520 0.24880 0.60020 0.50000 0.00990 O(13) 0.13530 0.09790 0.58660 1.00000 0.08400 O(14) 0.36520 0.09730 0.41440 1.00000 0.08000 O(15) 0.39420 0.09530 0.58760 1.00000 0.08700 O(16) 0.47440 0.23820 0.81260 1.00000 0.00900 O(17) 0.21740 0.00000 0.31120 1.00000 0.01880 O(18) 0.28110 0.00000 0.69030 1.00000 0.01860 O-HXOA1 0.29100 0.24840 0.70670 1.00000 0.00750 O-HXOA2 0.46480 0.00000 0.79430 1.00000 0.01890 O-HXOA3 0.03500 0.00000 0.20820 1.00000 0.01540 O-HXPM 0.24960 0.00000 0.50040 0.64000 0.05200 FXPM 0.24960 0.00000 0.50040 0.36000 0.05200 F 0.50000 0.22570 0.00000 1.00000 0.00790 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 FeMO(1) 0.00460 0.00900 0.00940 0.00000 0.00120 0.00000 FeMO(2) 0.00540 0.00830 0.01010 0.00000 0.00060 0.00000 MgMO(2) 0.00540 0.00830 0.01010 0.00000 0.00060 0.00000 FeMO(3) 0.00570 0.00820 0.01350 0.00110 0.00160 -0.00010 MgMO(3) 0.00570 0.00820 0.01350 0.00110 0.00160 -0.00010 FeMO(4) 0.00490 0.00830 0.01291 0.00000 0.00120 0.00010 MnMO(4) 0.00490 0.00830 0.01291 0.00000 0.00120 0.00010 FeMO(5) 0.00640 0.01200 0.01690 -0.00310 0.00490 -0.00400 MnMO(5) 0.00640 0.01200 0.01690 -0.00310 0.00490 -0.00400 ZrMO(5) 0.00640 0.01200 0.01690 -0.00310 0.00490 -0.00400 NaMO(5) 0.00640 0.01200 0.01690 -0.00310 0.00490 -0.00400 TiMH(1) 0.00110 0.13000 0.01050 0.00000 -0.00090 0.00000 TiMH(2) 0.00090 0.12200 0.01110 0.00000 -0.00140 0.00000 TiMH(3) 0.00170 0.00170 0.00330 -0.00030 0.00050 0.00040 Si(1) 0.02360 0.00870 0.00850 -0.00080 0.00140 0.00040 Si(2) 0.00170 0.00490 0.00810 0.00060 -0.00030 0.00000 Si(3) 0.00160 0.00430 0.00840 -0.00020 0.00040 0.00000 Si(4) 0.02260 0.00860 0.00850 -0.00070 0.00090 -0.00060 BaAP(1) 0.00480 0.00660 0.00520 0.00000 0.00030 0.00000 BaAP(2) 0.01230 0.03310 0.01540 -0.00060 0.00000 -0.00040 KAP(2) 0.01230 0.03310 0.01540 -0.00060 0.00000 -0.00040 KAP(3) 0.02170 0.03890 0.02520 0.00000 0.00350 0.00000 BaAP(3) 0.02170 0.03890 0.02520 0.00000 0.00350 0.00000 NaBP(1) 0.03100 0.03200 0.01800 0.00000 0.00130 0.00000 CaBP(1) 0.03100 0.03200 0.01800 0.00000 0.00130 0.00000 NaBP(2) 0.02900 0.02800 0.01700 0.00000 0.00140 0.00000 CaBP(2) 0.02900 0.02800 0.01700 0.00000 0.00140 0.00000 NaBP(3) 0.02340 0.02170 0.01230 -0.01030 -0.00040 0.00010 CaBP(3) 0.02340 0.02170 0.01230 -0.01030 -0.00040 0.00010 O(1) 0.00800 0.00400 0.01300 0.00000 0.00100 0.00000 O(2) 0.00400 0.00500 0.01100 -0.00230 -0.00360 0.00240 O(3) 0.00700 0.00500 0.01200 0.00080 -0.00020 0.00120 O(6) 0.00490 0.00240 0.01300 0.00050 -0.00060 -0.00120 O(7) 0.00200 0.01800 0.01400 -0.00380 -0.00070 -0.00010 O(8) 0.00900 0.02100 0.01400 0.00120 0.00200 -0.00100 O(9) 0.01400 0.00600 0.00500 -0.00030 -0.00090 0.00030 O(10) 0.01300 0.00400 0.00470 0.00010 -0.00060 -0.00090 O(11) 0.00600 0.21200 0.01600 0.02800 0.00300 -0.00100 O(12A) 0.01100 0.00500 0.01200 0.00000 -0.00700 0.00000 O(12B) 0.01100 0.00500 0.01200 0.00000 -0.00700 0.00000 O(13) 0.00900 0.23000 0.01300 0.03100 0.00700 0.00200 O(14) 0.01000 0.21500 0.01500 -0.03000 0.00700 -0.00600 O(15) 0.00800 0.23800 0.01700 -0.03400 0.00200 0.00200 O(16) 0.00500 0.01200 0.01000 0.00570 0.00090 0.00470 O(17) 0.00800 0.03800 0.01000 0.00000 0.00100 0.00000 O(18) 0.00800 0.04000 0.00800 0.00000 0.00200 0.00000 O-HXOA1 0.00700 0.01300 0.00230 0.00130 -0.00240 -0.00010 O-HXOA2 0.00800 0.01900 0.03000 0.00000 0.00300 0.00000 O-HXOA3 0.00600 0.01300 0.02700 0.00000 0.00300 0.00000 O-HXPM 0.00100 0.15100 0.00400 0.00000 0.00100 0.00000 FXPM 0.00100 0.15100 0.00400 0.00000 0.00100 0.00000 F 0.01000 0.01000 0.00300 0.00000 -0.00030 0.00000