data_global _chemical_name_mineral 'Tashelgite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Aksenov S M' 'Verin I A' _journal_name_full 'Crystallography Reports' _journal_volume 55 _journal_year 2010 _journal_page_first 563 _journal_page_last 568 _publ_section_title ; Crystal structure of complex natural aluminum magnesium calcium iron oxide ; _database_code_amcsd 0018315 _chemical_compound_source 'Tashelga River, Western Siberia, Russia' _chemical_formula_sum 'Al9 Fe Mg Ca O17 H' _cell_length_a 5.6973 _cell_length_b 17.1823 _cell_length_c 23.5718 _cell_angle_alpha 90 _cell_angle_beta 90.0 _cell_angle_gamma 90 _cell_volume 2307.508 _exptl_crystal_density_diffrn 3.662 _symmetry_space_group_name_H-M 'P 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Al1 0.95100 0.16710 0.03420 0.00988 Al2 0.46000 0.16780 0.03410 0.00823 Al3 0.95200 0.28590 0.64780 0.01393 Al4 0.45700 0.28620 0.64940 0.00507 Al5 0.69800 0.24700 0.44750 0.00545 Al6 0.44700 0.10880 0.47900 0.00874 Al7 0.95100 0.11160 0.48010 0.00887 Al8 0.45000 0.44280 0.08640 0.00570 Al9 0.95500 0.44270 0.08550 0.01165 Al10 0.21700 0.47170 0.88250 0.00811 Al11 0.70400 0.19400 0.83200 0.02026 Al12 0.20700 0.42420 0.61540 0.01089 Al13 0.95300 0.38680 0.41290 0.01267 Al14 0.45500 0.38980 0.41440 0.01267 Al15 0.70200 0.30550 0.06340 0.00684 Al16 0.20200 0.07910 0.27960 0.01646 Al17 0.19900 0.03030 0.00700 0.01393 Al18 0.96500 0.21450 0.24640 0.01267 Al19 0.44600 0.21460 0.24510 0.02153 Al20 0.95400 0.05990 0.80840 0.01520 Al21 0.94600 0.32740 0.85760 0.01773 Al22 0.45100 0.05450 0.80810 0.02280 Al23 0.44600 0.33300 0.85920 0.01646 Al24 0.20400 0.47290 0.49950 0.00887 Al25 0.70100 0.19820 0.56510 0.00887 Al26 0.71300 0.25280 0.94890 0.01267 Al27 0.70700 0.30310 0.32890 0.02026 Al28 0.19600 0.02780 0.39520 0.02026 Al29 0.70300 0.45040 0.68190 0.01393 Al30 0.70100 0.50870 0.31760 0.00507 Al31 0.70100 0.00410 0.07510 0.01140 Al32 0.71300 0.05210 0.21560 0.01646 Al33 0.18800 0.21530 0.76640 0.00760 Al34 0.20600 0.27890 0.12720 0.00507 Al35 0.19200 0.12330 0.60500 0.00887 Al36 0.20300 0.37440 0.28620 0.01013 Fe1 0.20000 0.28120 0.51720 0.01482 Fe2 0.70200 0.05470 0.93510 0.01963 Fe3 0.70500 0.11030 0.35130 0.01672 Fe4 0.20900 0.33150 0.98670 0.02254 Mg1 0.21100 0.16830 0.90780 0.01267 Mg2 0.69800 0.38840 0.54560 0.00380 Mg3 0.20000 0.21900 0.37440 0.00507 Mg4 0.70500 0.44340 0.95880 0.00380 Ca1 0.19700 0.41650 0.75140 0.03040 Ca2 0.20900 0.08410 0.14300 0.00760 Ca3 0.70200 0.37420 0.20090 0.01646 Ca4 0.70500 0.12810 0.69470 0.01773 O1 0.94300 0.34030 0.11700 0.00253 O2 0.67300 0.20150 0.08390 0.00253 O3 0.20400 0.47060 0.13420 0.00760 O4 0.21200 0.08740 0.53640 0.02533 O5 0.46000 0.33750 0.11340 0.02660 O6 0.72800 0.08700 0.53230 0.00253 O7 0.22700 0.24180 0.19400 0.02153 O8 0.44600 0.39320 0.66910 0.01140 O9 0.21400 0.19790 0.08380 0.01393 O10 0.95500 0.18070 0.61750 0.00380 O11 0.98300 0.39480 0.66800 0.01393 O12 0.20700 0.26460 0.69680 0.01267 O13 0.70800 0.47400 0.13340 0.02026 O14 0.21300 0.31570 0.59920 0.00760 O15 0.47700 0.17660 0.61700 0.01013 O16 0.70500 0.14780 0.98400 0.01393 O17 0.19700 0.37170 0.46660 0.01520 O18 0.20900 0.14130 0.98540 0.01140 O19 0.72000 0.36100 0.46730 0.00887 O20 0.42900 0.00920 0.45330 0.01520 O21 0.18800 0.13080 0.42900 0.01773 O22 0.73000 0.08900 0.85100 0.04686 O23 0.20500 0.42420 0.03060 0.01267 O24 0.69600 0.40950 0.03910 0.01646 O25 0.72700 0.34610 0.91500 0.01013 O26 0.43200 0.45020 0.55460 0.00887 O27 0.93000 0.21900 0.50600 0.03926 O28 0.71300 0.29590 0.59860 0.01520 O29 0.21300 0.37010 0.90670 0.02406 O30 0.69200 0.19940 0.29990 0.01267 O31 0.42400 0.04930 0.33580 0.01393 O32 0.97300 0.43740 0.83580 0.02280 O33 0.19900 0.07770 0.86820 0.05446 O34 0.45300 0.44130 0.83520 0.00633 O35 0.96000 0.16260 0.78290 0.00887 O36 0.98300 0.00760 0.45360 0.00760 O37 0.22500 0.30480 0.81240 0.01646 O38 0.50300 0.21640 0.50430 0.02786 O39 0.92300 0.26990 0.00410 0.00633 O40 0.47300 0.16640 0.78600 0.02660 O41 0.92900 0.29310 0.39200 0.01140 O42 0.44500 0.06820 0.05640 0.00380 O43 0.69700 0.49900 0.24450 0.03040 O44 0.72200 0.02920 0.75960 0.00633 O45 0.20000 0.18200 0.29800 0.11399 O46 0.72800 0.41450 0.35450 0.00887 O47 0.99200 0.04390 0.34030 0.01267 O48 0.98300 0.45140 0.55870 0.02786 O49 0.46600 0.27810 0.00760 0.00887 O50 0.71700 0.29810 0.81060 0.01267 O51 0.71400 1.00040 0.14880 0.01900 O52 0.47800 0.28160 0.38690 0.00507 O53 0.96600 0.05420 0.06070 0.01773 O54 0.92900 0.22690 0.89170 0.01520 O55 0.21500 0.42090 0.35900 0.01393 O56 0.72800 0.13690 0.43310 0.01267 O57 0.43300 0.50260 0.93840 0.01520 O58 0.95700 0.32120 0.27620 0.01900 O59 0.99600 0.49300 0.43940 0.02913 O60 0.47700 0.22400 0.88990 0.05699 O61 0.17100 0.02750 0.76350 0.01013 O62 0.46800 0.31650 0.27280 0.01773 O63 0.95700 0.10250 0.22430 0.01267 O64 0.47100 0.10580 0.22250 0.01773 O-H1 0.21300 0.04850 0.65470 0.01267 O-H2 0.23100 0.44380 0.22940 0.06459 O-H3 0.72700 0.26250 0.70110 0.01267 O-H4 0.68200 0.23410 0.19920 0.01267