data_global _chemical_name_mineral 'Curetonite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'American Mineralogist' _journal_volume 79 _journal_year 1994 _journal_page_first 545 _journal_page_last 549 _publ_section_title ; The crystal structure of curetonite, a complex heteropolyhedral sheet mineral Data has been corrected according to the ICSD ; _database_code_amcsd 0001660 _chemical_formula_sum 'Ba2 P2 Al1.66 Ti.34 O10 F2' _cell_length_a 6.977 _cell_length_b 12.564 _cell_length_c 5.223 _cell_angle_alpha 90 _cell_angle_beta 102.15 _cell_angle_gamma 90 _cell_volume 447.587 _exptl_crystal_density_diffrn 4.420 _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_occupancy Ba 0.31601 0.30290 0.45914 1.00000 P 0.30360 0.11350 -0.06940 1.00000 Al1 0.00000 0.50000 0.00000 0.66000 Ti 0.00000 0.50000 0.00000 0.34000 Al2 0.50000 0.50000 0.00000 1.00000 O1 0.21050 0.22350 -0.07010 1.00000 O2 0.43300 0.09270 0.20300 1.00000 O3 -0.05840 0.38580 0.22900 1.00000 O4 0.26360 0.44740 0.06790 1.00000 O5 0.64450 0.47240 0.34970 1.00000 F 0.05210 0.13060 0.39450 1.00000 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 0.01350 0.01230 0.02190 -0.00170 -0.00440 0.00530 P 0.00930 0.00730 0.00870 -0.00040 0.00160 -0.00080 Al1 0.02110 0.00780 0.00810 -0.00520 0.00480 -0.00160 Ti 0.02110 0.00780 0.00810 -0.00520 0.00480 -0.00160 Al2 0.00920 0.00940 0.01000 0.00120 0.00230 0.00160 O1 0.01610 0.01090 0.01670 0.00210 0.00560 0.00070 O2 0.01720 0.01060 0.01050 0.00110 -0.00100 0.00120 O3 0.01050 0.01130 0.01210 0.00050 0.00440 0.00070 O4 0.00850 0.01310 0.01230 0.00340 0.00540 0.00520 O5 0.01320 0.01550 0.00990 0.00590 0.00230 0.00370 F 0.01300 0.01130 0.01760 -0.00160 0.00150 0.00100