data_global _chemical_name_mineral 'Arakiite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 37 _journal_year 1999 _journal_page_first 1471 _journal_page_last 1482 _publ_section_title ; The effect of differences in coordination on ordering of polyvalent cations in close-packed structures: The crystal structure of arakiite and comparison with hematolite ; _database_code_amcsd 0005637 _chemical_formula_sum 'Zn.71 Mn8.06 Fe1.26 Mg4.23 Al.74 As3 O34 H23' _cell_length_a 14.236 _cell_length_b 8.206 _cell_length_c 24.225 _cell_angle_alpha 90 _cell_angle_beta 93.52 _cell_angle_gamma 90 _cell_volume 2824.641 _exptl_crystal_density_diffrn 3.467 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+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 Zn1 0.00000 0.24340 0.00000 0.71000 0.00850 Mn1 0.00000 0.24340 0.00000 0.29000 0.00850 Mn1 0.91370 0.37110 0.12970 1.00000 0.01180 Mn2 0.68360 0.38970 0.12810 1.00000 0.01300 Mn3 0.78710 0.03120 0.12920 1.00000 0.01190 Fe4 0.13050 0.26620 0.12850 1.00000 0.00880 Mn5 0.98950 0.00260 0.22970 1.00000 0.00910 Mn6 0.34380 0.16960 0.23060 1.00000 0.00990 Mn7 0.58300 0.11770 0.22980 1.00000 0.01030 Mn8 0.48160 0.26130 0.34040 0.80000 0.01020 Mg8 0.48160 0.26130 0.34040 0.20000 0.01020 Mn9 0.84860 0.47370 0.42920 0.10000 0.01250 Mg9 0.84860 0.47370 0.42920 0.90000 0.01250 Mn10 0.92170 0.11470 0.42940 0.13000 0.01330 Mg10 0.92170 0.11470 0.42940 0.87000 0.01330 Mn11 0.06070 0.40540 0.43110 0.31000 0.00790 Mg11 0.06070 0.40540 0.43110 0.69000 0.00790 Mn12 0.28020 0.32920 0.43160 0.28000 0.00880 Mg12 0.28020 0.32920 0.43160 0.72000 0.00880 Mn13 0.13050 0.03830 0.42780 0.15000 0.00730 Mg13 0.13050 0.03830 0.42780 0.85000 0.00730 Fe14 0.70470 0.18590 0.43070 0.26000 0.00950 Al14 0.70470 0.18590 0.43070 0.74000 0.00950 As1 0.14640 0.26240 0.30840 1.00000 0.00770 As2 0.80510 0.26390 0.22820 1.00000 0.00940 As3 0.45950 0.26390 0.10910 1.00000 0.00750 O1 0.88700 0.15600 0.18930 1.00000 0.01250 O2 0.70500 0.19000 0.18840 1.00000 0.01160 O3 0.81200 0.44400 0.18890 1.00000 0.01560 O4 0.03500 0.21600 0.28660 1.00000 0.01710 O5 0.17300 0.45300 0.28650 1.00000 0.01620 O6 0.22500 0.12600 0.28540 1.00000 0.01470 O7 0.15400 0.25900 0.38030 1.00000 0.00950 O8 0.40800 0.09200 0.08480 1.00000 0.01520 O9 0.56900 0.27700 0.08630 1.00000 0.01450 O10 0.46600 0.26100 0.17910 1.00000 0.01240 O11 0.39500 0.42600 0.08530 1.00000 0.01500 O-H1 0.00900 0.21900 0.08230 1.00000 0.00660 O-H2 0.62600 0.31800 0.47720 1.00000 0.01070 O-H3 0.39700 0.41500 0.47920 1.00000 0.01230 O-H4 0.46600 0.02900 0.48030 1.00000 0.01630 O-H5 0.10700 0.06500 0.17780 1.00000 0.01150 O-H6 0.04800 0.39600 0.17830 1.00000 0.01540 O-H7 0.24500 0.32200 0.17880 1.00000 0.01100 O-H8 0.15800 0.45700 0.08290 1.00000 0.01150 O-H9 0.20400 0.11200 0.08210 1.00000 0.01270 O-H10 0.72300 0.38500 0.38810 1.00000 0.01450 O-H11 0.79000 0.05400 0.38900 1.00000 0.01440 O-H12 0.59400 0.11600 0.38360 1.00000 0.01330 O-H13 0.82100 0.25500 0.47220 1.00000 0.01430 O-H14 0.18600 0.48600 0.47260 1.00000 0.01220 O-H15 0.36200 0.18100 0.38270 1.00000 0.01280 O-H16 0.93800 0.33000 0.38820 1.00000 0.00790 O-H17 0.25600 0.11100 0.47140 1.00000 0.01730 O-H18 0.04400 0.18400 0.47140 1.00000 0.00930 O-H19 0.50800 0.49000 0.37980 1.00000 0.01360 O-H20 0.46200 0.07000 0.27810 1.00000 0.01290 O-H21 0.38600 0.38200 0.27780 1.00000 0.01180 O-H22 0.58300 0.33700 0.27730 1.00000 0.01500 O-H23 0.79300 0.26200 0.08600 1.00000 0.00950