data_global _chemical_name_mineral 'Juabite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' _journal_name_full 'Journal of Geosciences' _journal_volume 56 _journal_year 2011 _journal_page_first 235 _journal_page_last 247 _publ_section_title ; The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite ; _database_code_amcsd 0018499 _chemical_compound_source 'Gold Chain mine, Tintic district, Juab County, Utah, USA' _chemical_formula_sum 'Ca Cu10 Te4 As4 O34 H10' _cell_length_a 8.9925 _cell_length_b 10.1291 _cell_length_c 8.9971 _cell_angle_alpha 102.668 _cell_angle_beta 92.490 _cell_angle_gamma 70.434 _cell_volume 752.989 _exptl_crystal_density_diffrn 4.498 _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_U_iso_or_equiv Ca 0.50000 0.50000 0.00000 0.01740 Cu1 0.80847 0.79847 0.00221 0.01053 Cu2 0.29631 0.84151 0.51172 0.00956 Cu3 0.39218 0.50715 0.62469 0.01284 Cu4 0.68366 0.84877 0.62919 0.01128 Cu5 -0.07412 0.79869 0.39124 0.01257 Te1 0.45602 0.83827 0.84848 0.01031 Te2 0.12971 0.83488 0.17031 0.01521 As1 0.06582 0.77050 0.72526 0.00865 As2 0.57354 0.78999 0.27256 0.00731 O1 0.93600 0.79640 0.17720 0.01630 O2 0.99550 0.81380 0.90480 0.01730 O3 0.18350 0.86630 0.70930 0.01340 O4 0.12080 0.83880 0.38480 0.01540 O5 0.67150 0.83490 0.83690 0.01530 O6 0.90790 0.82160 0.61260 0.01330 O7 0.46970 0.84850 0.63920 0.01430 O8 0.39070 0.59730 0.45210 0.01470 H8 0.31600 0.57800 0.39400 0.05000 O9 0.38790 0.88930 0.34020 0.01120 O10 0.60560 0.84440 0.11730 0.01260 O11 0.59850 0.61380 0.22610 0.01450 O12 0.26420 0.65260 0.10420 0.03060 O13 0.16270 0.59430 0.66380 0.02070 O14 0.70410 0.81830 0.40810 0.01460 OW15 0.03940 0.55280 0.35410 0.04050 H15a -0.03500 0.51300 0.33500 0.05000 H15b 0.08800 0.54400 0.43900 0.05000 OW16 0.86440 0.55900 0.94180 0.04890 H16a 0.78600 0.53300 0.96500 0.05000 H16b 0.88500 0.53700 0.84100 0.05000 O17 0.48730 0.64640 0.82540 0.01820 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 Ca 0.02750 0.01120 0.00960 -0.00150 -0.00060 0.00210 Cu1 0.00820 0.01780 0.00670 -0.00500 -0.00123 0.00412 Cu2 0.00710 0.01520 0.00860 -0.00560 -0.00175 0.00440 Cu3 0.01240 0.01140 0.01350 -0.00110 0.00110 0.00440 Cu4 0.00770 0.02170 0.00720 -0.00730 -0.00098 0.00490 Cu5 0.00850 0.02420 0.00730 -0.00820 -0.00112 0.00390 Te1 0.01015 0.01328 0.00919 -0.00540 0.00061 0.00333 Te2 0.01358 0.02100 0.01315 -0.00748 0.00011 0.00520 As1 0.00636 0.01300 0.00751 -0.00388 -0.00038 0.00318 As2 0.00623 0.01020 0.00642 -0.00332 -0.00031 0.00284 O1 0.00980 0.03250 0.01040 -0.01040 -0.00280 0.00760 O2 0.01230 0.03600 0.00660 -0.01200 -0.00020 0.00500 O3 0.01090 0.01920 0.01200 -0.00800 0.00020 0.00260 O4 0.01040 0.03140 0.00970 -0.01140 -0.00310 0.00880 O5 0.00970 0.03150 0.00870 -0.00910 -0.00180 0.00900 O6 0.00770 0.02640 0.00640 -0.00590 -0.00090 0.00450 O7 0.01190 0.02830 0.00720 -0.01040 -0.00280 0.00770 O8 0.01360 0.01450 0.01490 -0.00280 -0.00170 0.00430 O9 0.00610 0.01550 0.01220 -0.00240 0.00020 0.00540 O10 0.00950 0.02040 0.01000 -0.00440 -0.00070 0.00820 O11 0.01880 0.01110 0.01510 -0.00600 -0.00010 0.00470 O12 0.02010 0.02800 0.03200 0.00030 0.00170 -0.00510 O13 0.01340 0.01340 0.03400 -0.00230 0.00100 0.00520 O14 0.00830 0.02870 0.00820 -0.00880 -0.00150 0.00340 OW15 0.04500 0.02800 0.04900 -0.01700 -0.01000 0.00500 OW16 0.04800 0.02400 0.06700 -0.01000 -0.00300 0.00000 O17 0.02550 0.01480 0.01730 -0.00950 -0.00300 0.00540