data_global _chemical_name_mineral 'Bouazzerite' loop_ _publ_author_name 'Brugger J' 'Meisser N' 'Krivovichev S' 'Armbruster T' 'Favreau G' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 1630 _journal_page_last 1639 _publ_section_title ; Mineralogy and crystal structure of bouazzerite from Bou Azzer, Anti-Atlas, Morocco: Bi-As-Fe nanoclusters containing Fe3+ in trigonal prismatic coordination ; _database_code_amcsd 0018980 _chemical_compound_source 'Bou Azzer, Anti-Atlas, Morocco' _chemical_formula_sum 'Bi6 Mg10.76 Co.24 Fe14 As18 O174 H176' _cell_length_a 13.6322 _cell_length_b 30.469 _cell_length_c 18.4671 _cell_angle_alpha 90 _cell_angle_beta 91.134 _cell_angle_gamma 90 _cell_volume 7668.983 _exptl_crystal_density_diffrn 2.867 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 Bi1 0.33234 0.43927 0.05963 1.00000 0.01694 Bi2 0.38659 0.27157 0.19862 1.00000 0.01812 Bi3 0.35259 0.42352 0.37927 1.00000 0.01714 Mg1 0.50000 0.50000 0.50000 0.76000 0.02200 Co1 0.50000 0.50000 0.50000 0.24000 0.02200 Fe1 0.19098 0.33957 0.30552 1.00000 0.01960 Fe2 0.55546 0.35884 0.29353 1.00000 0.01830 Fe3 0.15471 0.42957 0.21954 1.00000 0.01870 Fe4 0.54076 0.35731 0.12029 1.00000 0.01870 Fe5 0.35571 0.37933 0.21313 1.00000 0.01530 Fe6 0.51905 0.44607 0.20669 1.00000 0.01980 Fe7 0.17860 0.34025 0.13515 1.00000 0.01980 As1 0.61733 0.45153 0.36421 1.00000 0.01720 As2 0.32019 0.50594 0.25068 1.00000 0.01770 As3 0.39425 0.29800 0.38449 1.00000 0.01730 As4 0.35232 0.32830 0.01404 1.00000 0.01830 As5 0.09272 0.42095 0.38783 1.00000 0.01680 As6 0.12300 0.25221 0.21955 1.00000 0.01840 As7 0.58885 0.44700 0.04135 1.00000 0.01720 As8 0.64960 0.27860 0.20621 1.00000 0.02050 As9 0.06318 0.42076 0.05797 1.00000 0.01730 Mg2 0.14290 0.45627 -0.10230 1.00000 0.01190 Mg3 0.36840 0.60454 0.18020 1.00000 0.02150 Mg4 -0.14100 0.45746 0.42740 1.00000 0.01800 Mg5 0.35290 0.21064 0.49770 1.00000 0.02240 Mg6 0.38750 0.23984 -0.09010 1.00000 0.02120 O1 0.47830 0.44970 -0.00150 1.00000 0.01900 O-H2 0.10440 0.36550 0.22270 1.00000 0.01400 O3 0.65270 0.31180 0.28060 1.00000 0.02200 O4 0.12500 0.28270 0.29750 1.00000 0.02400 O5 0.43850 0.40540 0.13420 1.00000 0.01100 O6 0.27550 0.32410 0.22060 1.00000 0.01400 O7 0.25600 0.40070 0.28900 1.00000 0.01300 O8 0.45120 0.40760 0.28260 1.00000 0.01400 O9 0.10320 0.36520 0.37750 1.00000 0.02000 Wat10 0.47770 0.56280 0.14000 1.00000 0.02500 O11 0.06020 0.44490 0.14180 1.00000 0.02000 O12 0.08760 0.36590 0.06480 1.00000 0.02200 O13 0.46610 0.33310 0.21090 1.00000 0.01600 O14 0.40450 0.27150 0.46140 1.00000 0.02000 O15 0.02940 0.21700 0.22200 1.00000 0.02600 O16 0.21110 0.48760 0.21630 1.00000 0.02100 O17 0.59820 0.47410 0.28070 1.00000 0.01900 O-H18 0.60670 0.39170 0.20460 1.00000 0.01400 O19 0.67700 0.47060 -0.00580 1.00000 0.01700 O20 0.51690 0.45870 0.41370 1.00000 0.02000 O21 -0.04820 0.42620 0.01810 1.00000 0.01800 O22 -0.00180 0.43170 0.44290 1.00000 0.02200 O23 0.33840 0.48830 0.33690 1.00000 0.02100 O24 0.58670 0.47200 0.12350 1.00000 0.01500 O25 0.24650 0.39970 0.14580 1.00000 0.01800 O26 0.31990 0.38110 -0.00490 1.00000 0.02100 O27 0.71470 0.47500 0.40330 1.00000 0.01900 O28 0.19670 0.44130 0.42520 1.00000 0.01800 O29 0.10230 0.28590 0.14770 1.00000 0.02500 O30 0.61780 0.39200 0.05100 1.00000 0.02100 O31 0.63790 0.31030 0.13110 1.00000 0.02100 O32 0.29010 0.32810 0.38220 1.00000 0.02300 O33 0.46500 0.32430 0.05040 1.00000 0.02800 O34 0.06980 0.44300 0.30390 1.00000 0.01900 O35 0.48760 0.33430 0.37520 1.00000 0.02400 O36 0.27270 0.30940 0.07540 1.00000 0.02500 O37 0.23150 0.22540 0.21100 1.00000 0.02300 O38 0.32580 0.55970 0.25530 1.00000 0.02600 O39 0.63830 0.39630 0.35610 1.00000 0.01800 O40 0.39120 0.26130 0.31410 1.00000 0.02000 Wat41 0.26490 0.64730 0.22370 1.00000 0.02700 Wat42 0.47740 0.63390 0.23940 1.00000 0.03100 Wat43 0.17060 0.52260 -0.08330 1.00000 0.02300 Wat44 0.29730 0.45150 -0.10910 1.00000 0.03200 Wat45 0.38530 0.25890 -0.19630 1.00000 0.02600 Wat46 0.42600 0.54590 0.43500 1.00000 0.03900 O47 0.75500 0.25060 0.20010 1.00000 0.03000 O48 0.40750 0.48690 0.19550 1.00000 0.02200 Wat49 0.21090 0.23490 0.52160 1.00000 0.03400 Wat50 -0.16010 0.47070 0.53620 1.00000 0.02700 Wat51 -0.19130 0.39130 0.43570 1.00000 0.03300 O52 0.34380 0.30070 -0.06260 1.00000 0.02200 Wat53 0.39540 0.22490 0.60360 1.00000 0.03600 O54 0.55280 0.24450 0.21390 1.00000 0.02900 Wat55 -0.08820 0.52320 0.42470 1.00000 0.02900 Wat56 0.24310 0.21820 -0.09830 1.00000 0.03600 Wat57 -0.01020 0.46520 -0.10740 1.00000 0.03200 Wat58 0.42720 0.17500 -0.12630 1.00000 0.03000 Wat59 0.63180 0.53470 0.48410 1.00000 0.02800 Wat60 0.53910 0.25580 -0.08700 1.00000 0.02800 O61 0.15090 0.44560 0.00880 1.00000 0.02100 Wat62 -0.11990 0.45680 0.31280 1.00000 0.03200 Wat63 0.39860 0.21650 0.01680 1.00000 0.03400 Wat64 0.39880 0.64890 0.09160 1.00000 0.03800 Wat65 0.48860 0.18480 0.47490 1.00000 0.04100 Wat66 0.31280 0.14560 0.52930 1.00000 0.03700 Wat67 0.25740 0.58050 0.10940 1.00000 0.03900 Wat68 0.13410 0.45980 -0.21620 1.00000 0.04800 Wat69 0.30000 0.19810 0.39350 1.00000 0.04700 Wat70 0.13690 0.38840 -0.10660 1.00000 0.05300 Wat71 -0.09100 0.34450 0.22000 1.00000 0.03800 Wat72 0.79110 0.41670 0.19510 1.00000 0.03600 Wat73 0.65940 0.63330 0.17300 1.00000 0.03800 Wat74 -0.20160 0.41030 0.63980 1.00000 0.05100 Wat75 0.25440 0.17450 0.08910 1.00000 0.04600 Wat76 0.03920 0.53980 0.30110 1.00000 0.05900 Wat77 0.51310 0.14160 0.04390 1.00000 0.05500 Wat78 0.19890 0.32550 0.52190 1.00000 0.05000 Wat79 0.60830 0.20180 0.35420 1.00000 0.06400 Wat80 0.40750 0.63050 0.48590 1.00000 0.06500 Wat81 0.11550 0.23540 0.01020 1.00000 0.05900 Wat82 0.54750 0.67750 0.40920 1.00000 0.10300 Wat83 0.75770 0.65980 0.29720 1.00000 0.12600 Wat84 0.07220 0.62230 0.18970 1.00000 0.10800 Wat85 0.52050 0.15560 0.18920 1.00000 0.15600 Wat86 0.66040 0.61170 0.41510 1.00000 0.19300 Wat87 0.30130 0.44410 -0.29340 1.00000 0.19400 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 Bi1 0.01760 0.01570 0.01760 0.00020 0.00090 0.00130 Bi2 0.02040 0.01490 0.01910 0.00060 0.00100 -0.00090 Bi3 0.01790 0.01780 0.01580 0.00000 0.00100 -0.00040 Mg1 0.02000 0.02700 0.01800 -0.00200 -0.00100 -0.00200 Co1 0.02000 0.02700 0.01800 -0.00200 -0.00100 -0.00200 Fe1 0.02020 0.01870 0.02000 -0.00010 0.00200 0.00060 Fe2 0.01830 0.01990 0.01660 0.00100 0.00080 -0.00070 Fe3 0.01920 0.01820 0.01880 0.00060 0.00240 -0.00060 Fe4 0.01910 0.01890 0.01820 0.00200 0.00170 0.00130 Fe5 0.01790 0.01390 0.01410 0.00170 0.00020 0.00140 Fe6 0.01770 0.02190 0.01970 0.00110 0.00140 -0.00060 Fe7 0.01930 0.01830 0.02180 0.00000 0.00200 -0.00020 As1 0.01410 0.02020 0.01730 0.00010 0.00010 -0.00360 As2 0.01880 0.01580 0.01870 -0.00050 0.00150 -0.00020 As3 0.01940 0.01680 0.01580 0.00270 0.00000 0.00230 As4 0.02130 0.01750 0.01610 0.00270 -0.00030 -0.00120 As5 0.01440 0.01890 0.01710 0.00170 0.00160 -0.00200 As6 0.02090 0.01450 0.01990 -0.00160 0.00210 0.00180 As7 0.01650 0.01880 0.01650 -0.00130 0.00130 -0.00010 As8 0.01940 0.02210 0.01990 0.00600 0.00070 0.00100 As9 0.01640 0.01780 0.01760 0.00140 -0.00010 0.00090 Mg2 0.01600 0.01100 0.00900 0.00240 0.00200 0.00120 Mg3 0.02400 0.01700 0.02500 -0.00300 0.00900 -0.00100 Mg4 0.01900 0.01500 0.02000 0.00300 0.00000 -0.00700 Mg5 0.02700 0.02000 0.02000 0.00000 0.00100 0.00500 Mg6 0.02000 0.02300 0.02100 0.00100 0.00000 -0.00200