data_global _chemical_name_mineral 'Hydrodresserite' loop_ _publ_author_name 'Szymanski J T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 20 _journal_year 1982 _journal_page_first 253 _journal_page_last 262 _publ_section_title ; The crystal structure of hydrodresserite BaAl2(CO3)2(OH)4.3H2O ; _database_code_amcsd 0005186 _chemical_formula_sum 'Ba Al2 C2 O13 H10' _cell_length_a 9.7545 _cell_length_b 10.4069 _cell_length_c 5.6322 _cell_angle_alpha 95.695 _cell_angle_beta 92.273 _cell_angle_gamma 115.643 _cell_volume 510.712 _exptl_crystal_density_diffrn 2.818 _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 Ba 0.14318 0.18123 0.21261 ? Al1 0.00000 0.50000 0.50000 ? Al2 0.00000 0.50000 0.00000 ? Al3 0.50000 0.50000 0.00000 ? Al4 0.50000 0.50000 0.50000 ? C1 0.04710 0.27720 0.71430 ? O1 0.04030 0.33680 0.92450 ? O2 0.03760 0.33510 0.52310 ? O3 0.06600 0.16420 0.69410 ? C2 0.39530 0.22630 0.68840 ? O4 0.41850 0.29170 0.90480 ? O5 0.41870 0.29690 0.50550 ? O6 0.35130 0.09260 0.65170 ? O7 0.13290 0.59250 0.77560 ? O8 0.38330 0.51200 0.74570 ? O9 0.14460 0.56360 0.27130 ? O10 0.64000 0.53670 0.76610 ? O11 0.16430 0.95540 0.94920 ? O12 0.57640 0.15910 0.17170 ? O13 0.31520 0.86640 0.31140 ? H1 0.17400 0.65400 0.78400 0.00970 H2 0.32700 0.52800 0.74900 0.01260 H3 0.17900 0.62100 0.28800 0.00990 H4 0.67800 0.50700 0.77300 0.01010 H5 0.22000 0.99300 0.86900 0.02380 H6 0.20200 0.92000 0.02900 0.02380 H7 0.52100 0.18800 0.11900 0.04150 H8 0.58100 0.16700 0.31900 0.04150 H9 0.32900 0.92800 0.41900 0.03170 H10 0.40400 0.89300 0.26100 0.03170 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 Ba 0.01460 0.01540 0.01080 0.00640 0.00020 -0.00100 Al1 0.01080 0.01230 0.00400 0.00680 0.00140 0.00180 Al2 0.01050 0.01100 0.00440 0.00610 0.00110 0.00120 Al3 0.00990 0.01090 0.00490 0.00490 0.00110 0.00240 Al4 0.01010 0.01070 0.00410 0.00460 0.00050 0.00110 C1 0.01160 0.01210 0.01050 0.00700 0.00150 0.00220 O1 0.01720 0.01410 0.00660 0.00920 0.00180 0.00150 O2 0.01920 0.01530 0.00670 0.01110 0.00180 0.00190 O3 0.02920 0.01810 0.01360 0.01760 0.00480 0.00320 C2 0.01470 0.01120 0.00970 0.00560 0.00280 0.00160 O4 0.02050 0.01270 0.00780 0.00680 0.00100 0.00220 O5 0.01910 0.01360 0.00720 0.00740 0.00150 0.00320 O6 0.05210 0.00950 0.02040 0.00970 0.01390 0.00270 O7 0.01070 0.01220 0.00630 0.00290 0.00150 0.00210 O8 0.01070 0.01940 0.00760 0.01050 0.00140 0.00250 O9 0.01050 0.01160 0.00770 0.00540 0.00020 0.00080 O10 0.00860 0.01490 0.00670 0.00690 0.00060 0.00210 O11 0.02230 0.02100 0.02810 0.00880 0.00830 0.01110 O12 0.04420 0.04000 0.04040 0.02460 0.00360 0.00770 O13 0.03110 0.02430 0.03980 0.00890 0.00930 -0.00160