data_global _chemical_name_mineral 'Tapiaite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' 'Nash B P' 'Dini M' 'Donoso A A M' _journal_name_full 'Mineralogical Magazine' _journal_volume 79 _journal_year 2015 _journal_page_first 345 _journal_page_last 354 _publ_section_title ; Tapiaite, Ca5Al2(AsO4)4(OH)4*12H2O, a new mineral from the Jote mine, Tierra Amarilla, Chile ; _database_code_amcsd 0020697 _chemical_compound_source 'Jote mine, Tierra Amarilla, Chile' _chemical_formula_sum 'Ca5 Al2 As4 O32 H28' _cell_length_a 16.0160 _cell_length_b 5.7781 _cell_length_c 16.3410 _cell_angle_alpha 90 _cell_angle_beta 116.704 _cell_angle_gamma 90 _cell_volume 1350.935 _exptl_crystal_density_diffrn 2.690 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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 0.50000 0.50000 0.00000 0.02090 Ca2 0.47839 0.18550 0.33149 0.01870 Ca3 0.32828 0.31490 0.47120 0.01880 Al 0.74473 0.49930 0.75492 0.01310 As1 0.57805 0.24950 0.57888 0.01350 As2 0.41220 0.99716 0.09523 0.01490 O1 0.47640 0.17620 0.57500 0.01880 O2 0.57620 0.32240 0.47980 0.01990 O3 0.62820 0.48600 0.64440 0.01680 O4 0.64460 0.01140 0.62990 0.01610 O5 0.41560 0.76830 0.03440 0.02610 O6 0.47760 0.21680 0.08920 0.02670 O7 0.29980 0.08210 0.05750 0.02180 O8 0.45000 0.92250 0.20670 0.01860 O-H9 0.30450 0.23570 0.21620 0.01860 O-H10 0.21390 0.26560 0.30270 0.01580 Wat11 0.49580 0.47910 0.23780 0.03020 Wat12 0.63570 0.12450 0.33880 0.03320 Wat13 0.63940 0.59860 0.13670 0.04230 Wat14 0.23650 0.02180 0.49280 0.02630 Wat15 0.67800 0.60290 0.37690 0.03650 Wat16 0.83470 0.56870 0.32820 0.04550 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 0.02620 0.01810 0.02320 0.00170 0.01540 0.00170 Ca2 0.01960 0.01850 0.01630 -0.00220 0.00660 -0.00120 Ca3 0.01650 0.01990 0.01950 0.00030 0.00760 0.00260 Al 0.01560 0.00970 0.01350 0.00030 0.00590 -0.00070 As1 0.01350 0.01140 0.01340 -0.00060 0.00390 0.00030 As2 0.01690 0.01300 0.01710 0.00020 0.00980 -0.00010 O1 0.01600 0.01700 0.02700 -0.00100 0.01200 0.00100 O2 0.02800 0.02100 0.01300 0.00600 0.01200 0.00400 O3 0.01700 0.01200 0.01700 0.00500 0.00400 0.00600 O4 0.01800 0.01300 0.01700 0.00300 0.00900 -0.00500 O5 0.03000 0.02000 0.03400 0.00300 0.02000 -0.00800 O6 0.03000 0.02500 0.03100 -0.00600 0.01900 0.00200 O7 0.02400 0.01300 0.02800 -0.00300 0.01200 -0.00100 O8 0.02200 0.01400 0.01800 -0.00100 0.00800 0.00000 O-H9 0.02000 0.01800 0.01800 0.00200 0.00800 0.00000 O-H10 0.01600 0.01900 0.01100 -0.00200 0.00400 -0.00300 Wat11 0.04200 0.02400 0.03000 0.00400 0.02000 0.00600 Wat12 0.03100 0.03100 0.03300 0.00600 0.01000 0.00400 Wat13 0.04100 0.04000 0.03600 -0.00400 0.00900 -0.00100 Wat14 0.02400 0.01800 0.03800 -0.00700 0.01600 0.00000 Wat15 0.04800 0.03400 0.03300 -0.01100 0.02400 -0.00800 Wat16 0.04500 0.04200 0.04000 -0.00600 0.01100 -0.00200