data_global _chemical_name_mineral 'Liskeardite' loop_ _publ_author_name 'Grey I E' 'Mumme W G' 'Macrae C M' 'Caradoc-Davies T' 'Price J R' 'Rumsey M S' 'Mills S J' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 3125 _journal_page_last 3135 _publ_section_title ; Chiral edge-shared octahedral chains in liskeardite, [(Al,Fe)32(AsO4)18(OH)42(H2O)22] *52H2O, an open framework mineral with a pharmacoalumite-related structure Note: T = 100 K ; _database_code_amcsd 0020528 _chemical_compound_source 'Marke Valley mine, Liskeard District, Cornwall, UK' _chemical_formula_sum 'As9 Al14.582 Fe1.418 O94.12 H97.24' _cell_length_a 24.576 _cell_length_b 7.754 _cell_length_c 24.641 _cell_angle_alpha 90 _cell_angle_beta 90.19 _cell_angle_gamma 90 _cell_volume 4695.620 _exptl_crystal_density_diffrn 1.946 _symmetry_space_group_name_H-M 'I 1 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-x,y,-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 As1 0.79768 0.18161 0.75058 1.00000 0.02630 As2 0.00000 0.50188 0.50000 1.00000 0.02170 As3 0.86884 0.98957 0.58781 1.00000 0.02490 As4 0.74933 0.82240 0.29770 1.00000 0.02610 As5 0.91225 0.01416 0.36875 1.00000 0.02500 Al1 0.93923 0.86350 0.48702 0.67900 0.02170 Fe1 0.93923 0.86350 0.48702 0.32100 0.02170 Al2 0.98726 0.14070 0.56090 0.61200 0.02450 Fe2 0.98726 0.14070 0.56090 0.38800 0.02450 Al3 0.81070 0.19380 0.31510 1.00000 0.02470 Al4 0.68380 0.31810 0.68950 1.00000 0.02870 Al5 0.68490 0.30950 0.81080 1.00000 0.02520 Al6 0.68960 0.18480 0.31610 1.00000 0.02820 Al7 0.87130 0.93000 0.24970 1.00000 0.02820 Al8 0.74940 0.07380 0.62890 1.00000 0.02830 O1 0.84350 0.33850 0.74960 0.75000 0.03700 O-H1 0.84350 0.33850 0.74960 0.25000 0.03700 O2 0.80560 0.05700 0.80480 1.00000 0.03700 O3 0.73440 0.26970 0.75240 1.00000 0.02700 O4 0.79930 0.05760 0.69330 1.00000 0.02700 O5 0.98880 0.38260 0.55510 1.00000 0.02900 O6 0.44430 0.12140 0.98890 1.00000 0.02700 O7 0.87650 0.87340 0.53060 1.00000 0.02700 O8 0.81060 0.10410 0.58360 1.00000 0.03400 O9 0.62910 0.35300 0.85930 1.00000 0.02900 O10 0.91950 0.13530 0.59640 1.00000 0.02800 O11 0.69520 0.94490 0.30600 1.00000 0.03300 O12 0.74950 0.16540 0.15680 0.75000 0.03900 O-H12 0.74950 0.16540 0.15680 0.25000 0.03900 O13 0.75260 0.23220 0.26480 1.00000 0.02700 O14 0.80710 0.94590 0.29980 1.00000 0.02490 O15 0.91620 0.89970 0.31090 1.00000 0.03300 O16 0.96950 0.12930 0.37660 1.00000 0.02800 O17 0.85880 0.15000 0.37050 1.00000 0.03100 O18 0.90370 0.86920 0.42020 1.00000 0.02800 O-H19 0.95020 0.11550 0.48910 1.00000 0.02390 O-H20 0.98890 0.88770 0.55000 1.00000 0.02180 O-H21 0.75040 0.19770 0.36090 1.00000 0.02800 O-H22 0.86300 0.16630 0.26030 1.00000 0.02900 Wat23 0.82600 0.43570 0.32120 1.00000 0.03200 O-H24 0.63890 0.30640 0.75040 1.00000 0.02900 O-H25 0.68460 0.08510 0.67070 1.00000 0.03200 O-H26 0.73980 0.31300 0.63780 1.00000 0.03300 Wat27 0.37510 0.36380 0.36000 1.00000 0.04500 O-H28 0.73970 0.33720 0.86210 1.00000 0.02800 Wat29 0.67820 0.06800 0.82580 1.00000 0.02900 Wat30 0.63920 0.14190 0.37390 1.00000 0.04700 O-H31 0.82850 0.91840 0.18510 1.00000 0.03200 O-H32 0.63780 0.19060 0.25920 1.00000 0.03000 Wat33 0.93600 0.94950 0.20700 1.00000 0.03900 Wat34 0.70660 0.05670 0.56520 1.00000 0.04000 Wat1 0.75370 0.57500 0.54940 1.00000 0.12700 Wat2 0.05900 0.26200 0.30090 0.79000 0.05100 Wat3 0.68970 0.43700 0.46200 1.00000 0.22200 Wat4 0.85610 0.29700 0.47260 1.00000 0.05900 Wat5 0.02570 0.70970 0.35400 1.00000 0.05800 Wat6 0.62560 0.97600 0.91400 1.00000 0.06300 Wat7 0.75390 0.06100 0.46490 0.87000 0.11300 Wat8 0.91480 0.52600 0.37460 1.00000 0.05700 Wat9 0.98760 0.42320 0.34140 1.00000 0.03850 Wat10 0.66020 0.07830 0.98640 1.00000 0.04200 Wat11 0.69840 0.24400 0.05980 0.71000 0.04300 Wat12 0.94900 0.43100 0.24950 0.78000 0.08800 Wat13 0.03330 0.94100 0.25860 1.00000 0.11900 Wat14 0.65840 0.80100 0.40740 0.25000 0.05700 Wat15 0.40780 0.74300 0.34610 0.66000 0.17000