data_global _chemical_name_mineral 'Juabite' loop_ _publ_author_name 'Burns P C' 'Clark C M' 'Gault R A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 809 _journal_page_last 816 _publ_section_title ; Juabite, CaCu10(TeO3)4(AsO4)4(OH)2(H2O)4: Crystal structure and revision of the chemical formula ; _database_code_amcsd 0005685 _chemical_formula_sum 'Ca Cu10 Te4 As4 O34 H10' _cell_length_a 8.9903 _cell_length_b 10.1197 _cell_length_c 8.9959 _cell_angle_alpha 102.654 _cell_angle_beta 92.432 _cell_angle_gamma 70.432 _cell_volume 752.013 _exptl_crystal_density_diffrn 4.504 _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 0.02480 Cu(1) -0.19190 0.79930 0.00210 0.01170 Cu(2) 0.29670 0.84120 -0.48830 0.01040 Cu(3) 0.39210 0.50720 -0.37550 0.01420 Cu(4) 0.68450 0.84870 -0.37080 0.01290 Cu(5) -0.07340 0.79910 0.39090 0.01540 Te(1) 0.45680 0.83790 -0.15180 0.01140 Te(2) 0.13030 0.83420 0.16980 0.01960 As(1) 0.06560 0.77060 -0.27510 0.00970 As(2) 0.57430 0.78990 -0.72740 0.00820 O(1) -0.06600 0.79800 0.17800 0.01670 O(2) -0.00300 0.81400 -0.09500 0.01750 O(3) 0.18500 0.86600 -0.29000 0.01450 O(4) 0.12100 0.84000 0.38800 0.01760 O(5) -0.32800 0.83500 -0.16300 0.01030 O(6) -0.09100 0.82000 -0.38800 0.01220 O(7) 0.46900 0.84800 -0.36400 0.01920 O-H(8) 0.39000 0.59700 -0.54800 0.01660 O(9) 0.38700 0.88800 -0.66000 0.01040 O(10) 0.60700 0.84200 -0.88300 0.00950 O(11) 0.60100 0.61400 -0.77300 0.01310 O(12) 0.26500 0.65400 0.10700 0.03810 O(13) 0.16300 0.59400 -0.33600 0.01970 O(14) 0.70400 0.81800 -0.59300 0.01420 Wat(15) 0.03900 0.55200 0.35600 0.04390 Wat(16) -0.13100 0.55800 -0.05700 0.05270 O(17) 0.49000 0.64500 -0.17700 0.01690 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 0.04680 0.01880 0.00590 -0.00830 -0.00500 0.00180 Cu(1) 0.00850 0.02580 0.00290 -0.00740 -0.00320 0.00550 Cu(2) 0.00710 0.02220 0.00450 -0.00630 -0.00440 0.00650 Cu(3) 0.01240 0.02020 0.00930 -0.00250 -0.00360 0.00720 Cu(4) 0.00660 0.03230 0.00310 -0.00950 -0.00310 0.00660 Cu(5) 0.00950 0.03400 0.00600 -0.01040 -0.00510 0.00730 Te(1) 0.00990 0.02160 0.00560 -0.00810 -0.00270 0.00470 Te(2) 0.01620 0.03580 0.01080 -0.01210 -0.00370 0.00860 As(1) 0.00560 0.02200 0.00310 -0.00600 -0.00400 0.00460 As(2) 0.00610 0.01780 0.00180 -0.00460 -0.00310 0.00410