data_global _chemical_name_mineral 'Joteite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' 'Housley R M' 'Rossman G R' 'Nash B P' 'Dini M' 'Jenkins R A' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 2811 _journal_page_last 2823 _publ_section_title ; Joteite, Ca2CuAl[AsO4][AsO3(OH)]2(OH)2*5H2O, a new arsenate with a sheet structure and unconnected acid arsenate groups ; _database_code_amcsd 0019980 _chemical_compound_source 'Jote mine, Tierra Amarilla, Copiapo Province, Atacama, Chile' _chemical_formula_sum 'Ca2 Cu Al As3 O19 H14' _cell_length_a 6.0530 _cell_length_b 10.2329 _cell_length_c 12.9112 _cell_angle_alpha 87.572 _cell_angle_beta 78.480 _cell_angle_gamma 78.697 _cell_volume 768.403 _exptl_crystal_density_diffrn 3.084 _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 Ca1 0.19270 0.93935 0.81685 0.00970 Ca2 0.48290 0.54746 0.82364 0.01030 Cu 0.31806 0.24809 0.85644 0.00670 Al1 0.50000 0.00000 0.00000 0.00490 Al2 0.00000 0.50000 0.00000 0.00330 As1 0.78742 0.24612 0.93661 0.00466 As2 0.78581 0.75022 0.86052 0.00670 As3 0.05410 0.25036 0.49586 0.01010 O1 0.59490 0.31630 0.86310 0.00860 O2 0.03750 0.17880 0.85750 0.01160 O3 0.69300 0.12460 0.01530 0.00800 O4 0.18740 0.63560 0.98160 0.00910 O5 0.58120 0.76420 0.78980 0.00820 O6 0.77510 0.88000 0.93870 0.00840 O7 0.77130 0.60740 0.93270 0.00720 O-H8 0.05450 0.73980 0.78140 0.01030 O9 0.19920 0.09920 0.46130 0.01750 O10 0.87450 0.25640 0.61180 0.01760 O11 0.92590 0.32840 0.40060 0.01840 O-H12 0.23990 0.35790 0.50770 0.02220 O-H13 0.46660 0.06150 0.86320 0.00630 O-H14 0.16100 0.43250 0.86570 0.00530 Wat15 0.42670 0.23940 0.66760 0.01500 Wat16 0.88020 0.47210 0.72080 0.01360 Wat17 0.36680 0.97230 0.63730 0.01870 Wat18 0.45990 0.52990 0.64400 0.02160 Wat19 0.87970 0.01830 0.71610 0.01290 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 Ca1 0.01300 0.00860 0.00970 -0.00490 -0.00490 0.00260 Ca2 0.01160 0.00850 0.01030 -0.00370 0.00110 -0.00140 Cu 0.00450 0.00360 0.01230 -0.00080 -0.00230 0.00070 Al1 0.00610 0.00370 0.00500 -0.00180 -0.00060 0.00090 Al2 0.00520 0.00150 0.00300 0.00070 -0.00120 -0.00030 As1 0.00530 0.00350 0.00590 -0.00210 -0.00160 -0.00010 As2 0.00840 0.00500 0.00680 -0.00130 -0.00230 0.00080 As3 0.01110 0.01140 0.00740 -0.00100 -0.00190 -0.00050 O1 0.01200 0.00800 0.00800 -0.00500 -0.00400 0.00700 O2 0.01000 0.01500 0.01200 -0.00400 -0.00400 -0.00200 O3 0.00900 0.00300 0.01200 -0.00400 0.00000 0.00000 O4 0.00700 0.01000 0.01000 -0.00200 0.00000 -0.00200 O5 0.01200 0.00200 0.01200 -0.00400 -0.00600 0.00000 O6 0.00800 0.00700 0.01300 -0.00100 -0.00700 0.00000 O7 0.00800 0.00500 0.00900 -0.00200 -0.00300 0.00300 O-H8 0.01600 0.01300 0.00300 -0.00900 0.00200 0.00300 O9 0.01800 0.01600 0.01600 0.00300 -0.00200 -0.00600 O10 0.01600 0.01800 0.01400 -0.00200 0.00500 0.00200 O11 0.02000 0.01700 0.01700 0.00800 -0.01000 -0.00500 O-H12 0.02800 0.02100 0.02300 -0.01900 -0.00500 -0.00100 O-H13 0.00700 0.00300 0.01100 -0.00200 -0.00500 -0.00200 O-H14 0.00500 0.00600 0.00600 0.00000 -0.00300 0.00000 Wat15 0.01100 0.01700 0.02100 -0.00600 -0.00800 0.00200 Wat16 0.01400 0.01000 0.01700 -0.00500 -0.00100 -0.00300 Wat17 0.01600 0.02800 0.01000 0.00100 -0.00100 -0.00600 Wat18 0.01600 0.03100 0.01600 -0.00200 -0.00300 -0.00500 Wat19 0.01800 0.00800 0.01200 -0.00400 -0.00200 0.00800