data_global _chemical_name_mineral 'Lahnsteinite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Aksenov S M' 'Chukanov N V' 'Verin I A' _journal_name_full 'Crystallography Reports' _journal_volume 57 _journal_year 2012 _journal_page_first 737 _journal_page_last 741 _publ_section_title ; Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O ; _database_code_amcsd 0020053 _chemical_compound_source 'Friedrichssegen deposit, Rhineland-Palatinate, Germany' _chemical_formula_sum 'Zn4 S O13 H12' _cell_length_a 8.312 _cell_length_b 14.545 _cell_length_c 18.504 _cell_angle_alpha 89.71 _cell_angle_beta 90.05 _cell_angle_gamma 90.13 _cell_volume 2237.062 _exptl_crystal_density_diffrn 3.051 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz '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 Zn1 0.09850 0.31830 0.50000 0.02280 Zn2 0.60490 0.82180 0.48490 0.01773 Zn3 0.40690 0.17070 0.50990 0.03293 Zn4 0.91090 0.67360 0.49170 0.02406 Zn5 0.47770 0.39190 0.50480 0.03546 Zn6 0.97560 0.89650 0.48250 0.02533 Zn7 0.67630 0.02730 0.50370 0.03420 Zn8 0.17650 0.52740 0.51610 0.01646 Zn9 0.04800 0.10050 0.49970 0.02533 Zn10 0.54290 0.60070 0.50860 0.02280 Zn11 0.74710 0.24830 0.49640 0.02153 Zn12 0.24350 0.74670 0.50530 0.02153 Zn13 0.57000 0.31630 0.00180 0.03166 Zn14 0.07160 0.81820 0.00120 0.02406 Zn15 0.09440 0.40070 0.00300 0.02660 Zn16 0.23000 0.25860 0.02710 0.02913 Zn17 0.45490 0.90170 -0.00030 0.01900 Zn18 0.73150 0.76240 0.01050 0.00887 Zn19 0.52990 0.10700 -0.00940 0.01900 Zn20 0.03180 0.60690 -0.00020 0.01267 Zn21 0.15610 0.02980 0.00020 0.02406 Zn22 0.65670 0.53080 0.00570 0.01393 Zn23 0.87980 0.16740 -0.00890 0.01773 Zn24 0.37660 0.66520 -0.00210 0.02786 Zn25 0.33170 0.96380 0.40230 0.02913 Zn26 0.83280 0.46380 0.42050 0.02660 Zn27 0.83110 0.46530 0.59750 0.03926 Zn28 0.32600 0.96530 0.59500 0.03293 Zn29 0.80090 0.96100 0.09790 0.02660 Zn30 0.30070 0.46290 0.09680 0.01900 Zn31 0.81080 0.96320 0.89830 0.03166 Zn32 0.30800 0.46180 0.90950 0.01267 S1 0.82700 0.13700 0.34700 0.03166 S2 0.32800 0.63300 0.36100 0.03546 S3 0.31900 0.29500 0.66900 0.03420 S4 0.82300 0.79500 0.65300 0.03293 S5 0.80400 0.28900 0.15300 0.02153 S6 0.30800 0.79200 0.15200 0.02533 S7 0.31900 0.13400 0.85900 0.04686 S8 0.82200 0.63600 0.84600 0.02153 O1 0.91800 0.06000 0.31600 0.02533 O2 0.81000 0.13700 0.43000 0.01267 O3 0.43500 0.56800 0.32200 0.01773 O4 0.31900 0.29000 0.58500 0.01520 O5 0.32700 0.63300 0.43900 0.01267 O6 0.82000 0.79700 0.57000 0.01646 O7 0.49600 0.29800 0.67900 0.01267 O8 -0.00700 0.81000 0.67400 0.01520 O9 0.38100 0.72500 0.34000 0.03800 O10 0.22900 0.37600 0.68600 0.02913 O11 0.71600 0.86300 0.68200 0.01773 O12 0.90200 0.23100 0.32400 0.03800 O13 0.64700 0.12000 0.33400 0.03800 O14 0.16300 0.62500 0.32900 0.03040 O15 0.69900 0.36300 0.18600 0.00380 O16 0.20100 0.86400 0.17700 0.02280 O17 0.96400 0.31200 0.18500 0.00380 O18 0.25000 0.21300 0.67400 0.02913 O19 0.30000 0.79000 0.07000 0.05066 O20 0.46500 0.79800 0.17500 0.01900 O21 0.76200 0.70300 0.67700 0.03800 O22 0.81800 0.28300 0.07000 0.03293 O23 0.73400 0.20100 0.17800 0.00380 O24 0.21700 0.69900 0.16300 0.02533 O25 0.80400 0.63500 0.92500 0.01646 O26 0.30000 0.14000 0.94000 0.00380 O27 0.34000 0.23700 0.85000 0.03166 O28 0.43100 0.07200 0.85400 0.03800 O29 0.14400 0.13300 0.84900 0.03546 O30 0.86300 0.71100 0.80700 0.04433 O31 0.65700 0.61800 0.80600 0.03673 O32 0.91700 0.56800 0.80700 0.03800 O-H1 0.11700 0.99300 0.43600 0.03293 O-H2 0.61400 0.48800 0.43900 0.02913 O-H3 0.49000 0.07000 0.43800 0.00127 O-H4 0.98100 0.56200 0.43500 0.00253 O-H5 0.16700 0.18800 0.45100 0.01140 O-H6 0.62100 0.16900 0.54600 0.01393 O-H7 0.67900 0.70000 0.45600 0.01520 O-H8 0.37100 0.84300 0.44400 0.00633 O-H9 0.89800 0.34600 0.44100 0.01646 O-H10 0.25200 0.41800 0.44300 0.00380 O-H11 0.11500 0.65500 0.55400 0.00887 O-H12 0.74500 0.91000 0.45300 0.00380 O-H13 0.03900 0.77300 0.44600 0.01140 O-H14 0.53600 0.26900 0.45700 0.02533 O-H15 0.95200 0.23000 0.57500 0.04179 O-H16 0.47700 0.71900 0.55300 0.02533 O-H17 0.68500 0.35600 0.58100 0.01773 O-H18 0.16600 0.86400 0.57400 0.00253 O-H19 0.89900 0.01300 0.55300 0.00253 O-H20 0.56500 0.98600 0.92800 0.01900 O-H21 0.39600 0.52000 0.55500 0.01520 O-H22 0.08000 0.49100 0.93900 0.02533 O-H23 0.97500 0.04500 0.93400 0.01393 O-H24 0.09100 0.13600 0.05500 0.00887 O-H25 0.26100 0.07800 0.55500 0.01773 O-H26 0.46600 0.54900 0.93600 0.01393 O-H27 0.75800 0.58700 0.57000 0.01646 O-H28 0.59900 0.64300 0.06100 0.01520 O-H29 0.03300 0.43400 0.56400 0.00760 O-H30 0.54200 0.93500 0.57700 0.01900 O-H31 0.67800 0.21200 0.94700 0.00507 O-H32 0.15900 0.70400 0.95600 0.00760 O-H33 0.72100 0.39900 0.96700 0.02533 O-H34 0.22300 0.91300 0.95700 0.02533 O-H35 0.23100 0.58500 0.06200 0.00887 O-H36 0.75400 0.09200 0.06300 0.02153 O-H37 0.43300 0.23000 0.06500 0.01267 O-H38 0.37700 -0.00100 0.04800 0.02533 O-H39 0.93900 0.73000 0.05100 0.01267 O-H40 0.87100 0.82200 0.92300 0.03293 O-H41 0.37800 0.32900 0.94200 0.03800 O-H42 0.87400 0.50200 0.05400 0.02533 O-H43 0.51900 0.41700 0.06100 0.02533 O-H44 0.51500 0.77500 -0.06500 0.01013 O-H45 0.65600 0.88400 0.04100 0.01393 O-H46 0.02700 0.27900 0.95600 0.00507 O-H47 0.16800 0.37300 0.05400 0.01520 O-H48 0.03900 0.93600 0.07100 0.01267 Wat1 0.30600 0.46000 0.20800 0.03166 Wat2 0.76700 0.98500 0.20700 0.05066 Wat3 0.18700 0.85300 0.79600 0.01900 Wat4 0.04800 0.29300 0.30500 0.03800 Wat5 0.04400 0.56700 0.69600 0.07219 Wat6 -0.00400 0.78400 0.27900 0.03673 Wat7 0.93900 0.09700 0.69600 0.02533 Wat8 0.69300 0.34700 0.79800 0.03800 Wat9 0.10700 0.14200 0.21700 0.02026 Wat10 0.64300 0.64600 0.21000 0.01140 Wat11 0.15000 0.42000 0.31000 0.03166 Wat12 0.70000 0.82000 0.31000 0.03420 Wat13 0.01100 -0.75100 -0.19600 0.03293 Wat14 -0.51400 -0.28200 -0.22900 0.03166 Wat15 0.37600 0.96400 0.28800 0.02533 Wat16 0.84800 0.45800 0.30800 0.02533 Wat17 0.33900 0.96600 0.70500 0.03293 Wat18 0.79800 0.48200 0.71900 0.03800 Wat19 0.32200 0.46900 -0.21600 0.03040 Wat20 0.79500 0.96000 -0.21800 0.02026 Wat21 0.12400 0.57700 0.69200 0.03673 Wat22 0.59000 0.10100 0.69900 0.04939 Wat23 0.39800 0.10300 0.20400 0.04939 Wat24 0.94100 0.65800 0.20500 0.05573