data_global _chemical_name_mineral 'Slavkovite' loop_ _publ_author_name 'Sejkora J' 'Plasil J' 'Ondrus P' 'Veselovsky F' 'Cisarova I' 'Hlousek J' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 1157 _journal_page_last 1170 _publ_section_title ; Slavkovite, Cu13(AsO4)6(AsO3OH)4*23H2O, a new mineral species from Horni Slavkov and Jachymov, Czech Republic: Description and crystal-structure determination ; _database_code_amcsd 0017870 _chemical_compound_source 'Geschieber vein, Svornost mine, Jachymov ore district, Czech Republic' _chemical_formula_sum 'Cu13 As10 O63 H50' _cell_length_a 6.4240 _cell_length_b 14.3700 _cell_length_c 16.5590 _cell_angle_alpha 102.882 _cell_angle_beta 101.036 _cell_angle_gamma 98.022 _cell_volume 1435.807 _exptl_crystal_density_diffrn 3.046 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Cu1 0.41461 0.42842 0.20614 1.00000 0.02280 Cu2 0.12578 0.42043 0.01258 1.00000 0.01580 Cu3 0.69605 0.65150 0.15208 1.00000 0.01610 Cu4 0.29739 0.86071 0.33729 1.00000 0.01600 Cu5 0.11363 0.03619 0.43914 1.00000 0.01530 Cu6 0.49273 0.84667 0.18181 1.00000 0.01640 Cu7 0.50000 0.00000 0.00000 1.00000 0.04080 As1 0.62686 0.40379 0.04914 1.00000 0.01370 As2 0.20616 0.62084 0.18253 1.00000 0.01500 As3 0.99458 0.89560 0.16282 1.00000 0.01500 As4 0.78782 0.80345 0.33903 1.00000 0.01420 As5 0.63285 0.09735 0.45695 1.00000 0.01330 O11 0.83170 0.45100 0.01060 1.00000 0.01520 O12 0.67080 0.29560 0.06380 1.00000 0.02150 O13 0.61150 0.47730 0.14130 1.00000 0.01940 O14 0.38980 0.39040 -0.02200 1.00000 0.01800 O-H21 0.23020 0.67000 0.29040 1.00000 0.03060 O22 -0.02020 0.64560 0.13120 1.00000 0.01680 O23 0.20110 0.50190 0.16530 1.00000 0.02250 O24 0.41550 0.68210 0.15770 1.00000 0.01830 O31 0.00950 0.87550 0.06020 1.00000 0.02080 O32 0.22450 0.86910 0.21660 1.00000 0.01680 O33 0.99200 0.01420 0.19910 1.00000 0.02720 O34 0.77500 0.82250 0.16970 1.00000 0.02040 O-H41 0.75960 0.79230 0.43820 1.00000 0.02290 O42 0.79210 0.69170 0.28170 1.00000 0.02030 O43 0.01410 0.88220 0.35100 1.00000 0.01800 O44 0.57440 0.85230 0.30370 1.00000 0.01530 O51 0.69420 0.16590 0.39240 1.00000 0.02170 O52 0.62270 0.16980 0.55160 1.00000 0.01840 O53 0.82640 0.02780 0.46800 1.00000 0.01510 O54 0.39190 0.02360 0.41150 1.00000 0.01780 Wat1 0.21420 0.37290 0.26660 1.00000 0.04360 Wat2 0.56480 0.31570 0.21330 1.00000 0.03810 Wat3 0.61860 0.53320 0.32720 1.00000 0.03840 Wat4 0.08730 0.30370 0.05470 1.00000 0.02190 Wat5 0.04710 0.11330 0.35790 1.00000 0.02300 Wat6 0.67380 0.07620 0.11080 1.00000 0.05050 Wat7 0.24860 0.04600 0.03360 1.00000 0.05110 Wat8 0.37390 0.28180 0.38770 1.00000 0.06350 Wat9 0.43340 0.12650 0.22930 1.00000 0.06160 Wat10 0.40770 0.85920 0.06490 1.00000 0.02090 Wat11 0.99900 0.46550 0.37460 0.50000 0.05410 Wat12 0.97700 0.34330 0.48250 0.50000 0.05430 Wat13 0.40800 0.59410 0.45330 0.25000 0.03400 Wat14 0.45900 0.56290 0.46980 0.25000 0.03400 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 Cu1 0.02530 0.02530 0.02300 0.00940 0.01060 0.00970 Cu2 0.01110 0.01710 0.02010 0.00420 0.00560 0.00390 Cu3 0.01000 0.02110 0.01540 0.00440 0.00300 0.00010 Cu4 0.01040 0.02400 0.01350 0.00560 0.00320 0.00300 Cu5 0.01030 0.02090 0.01620 0.00540 0.00410 0.00520 Cu6 0.01060 0.02480 0.01440 0.00550 0.00350 0.00470 Cu7 0.03730 0.04680 0.03850 0.01280 0.00540 0.01130 As1 0.01010 0.01640 0.01470 0.00329 0.00408 0.00283 As2 0.00990 0.01870 0.01550 0.00386 0.00270 0.00190 As3 0.01090 0.02040 0.01450 0.00600 0.00289 0.00420 As4 0.00940 0.01800 0.01410 0.00388 0.00243 0.00158 As5 0.00930 0.01760 0.01310 0.00416 0.00277 0.00289 O11 0.00990 0.01740 0.01960 0.00380 0.00620 0.00440 O12 0.02000 0.02000 0.02700 0.00680 0.00760 0.00760 O13 0.01800 0.02100 0.01840 0.00280 0.00780 0.00090 O14 0.01230 23.00000 0.01650 0.00370 0.00190 0.00170 O-H21 0.03500 0.03900 0.01500 0.00900 0.00510 0.00070 O22 0.01070 0.02100 0.01730 0.00680 0.00230 0.00050 O23 0.02100 0.01760 0.02700 0.00470 0.00300 0.00350 O24 0.00860 0.01820 0.02500 0.00020 0.00460 0.00010 O31 0.01900 0.03100 0.01430 0.01150 0.00370 0.00560 O32 0.00980 0.02600 0.01400 0.00530 0.00090 0.00410 O33 0.03100 0.02300 0.02700 0.01230 0.00310 0.00380 O34 0.00950 0.02600 0.02400 0.00350 0.00470 0.00240 O-H41 0.02300 0.03600 0.01430 0.01250 0.00710 0.00900 O42 0.02100 0.01990 0.01930 0.00510 0.00670 0.00130 O43 0.01030 206.00000 0.01860 0.00160 0.00170 -0.00160 O44 0.01020 0.02090 0.01460 0.00610 0.00260 0.00260 O51 0.02100 0.02600 0.02300 0.00650 0.00900 0.01180 O52 0.01840 0.02300 0.01430 0.00820 0.00440 0.00280 O53 0.01140 0.02150 0.01490 0.00710 0.00540 0.00530 O54 0.00750 0.02100 0.01990 0.00060 0.00110 -0.00180 Wat1 0.04300 0.05100 0.05400 0.01400 0.02900 0.03000 Wat2 0.04800 0.04100 0.04100 0.02400 0.02300 0.02200 Wat3 0.04500 0.03800 0.02900 0.00300 0.00900 0.00500 Wat4 0.02000 0.02100 0.02500 0.00470 0.00640 0.00530 Wat5 0.02300 0.02900 0.02300 0.01040 0.00960 0.01160 Wat6 0.05100 0.05300 0.04100 0.01700 -0.00300 0.00600 Wat7 0.05100 0.06300 0.05100 0.02700 0.01600 0.02500 Wat8 0.06100 0.07100 0.07100 0.01900 0.01600 0.03900 Wat9 0.06600 0.07300 0.04800 0.00700 0.01800 0.02000 Wat10 0.01920 0.02700 0.01790 0.00570 0.00630 0.00590 Wat11 0.04100 0.07800 0.05500 0.03400 0.01900 0.02000 Wat12 0.05500 0.03300 0.06200 -0.01100 -0.00200 0.01100