data_global _chemical_name_mineral 'Burangaite' loop_ _publ_author_name 'Selway J B' 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 35 _journal_year 1997 _journal_page_first 1515 _journal_page_last 1522 _publ_section_title ; Refinement of the crystal structure of burangaite ; _database_code_amcsd 0005534 _chemical_formula_sum 'Na Al5 Fe P4 H10 O24' _cell_length_a 25.099 _cell_length_b 5.0491 _cell_length_c 13.438 _cell_angle_alpha 90 _cell_angle_beta 110.88 _cell_angle_gamma 90 _cell_volume 1591.127 _exptl_crystal_density_diffrn 3.054 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.00000 -0.14750 0.25000 ? Al1 0.00000 0.00000 0.00000 ? Fe2 0.25000 0.25000 0.00000 ? Al3 0.15172 -0.01840 0.10937 ? Al4 0.14090 -0.22430 0.35101 ? P1 0.21594 0.26600 0.32744 ? P2 0.08058 0.27520 0.39430 ? H5 0.15300 0.39200 0.01800 0.05000 H8 0.14500 -0.42300 0.19500 0.05000 H11 0.07900 0.23100 0.13000 0.05000 H12a 0.00400 -0.45700 0.09800 0.05000 H12b 0.06300 -0.29000 0.13400 0.05000 O1 0.09188 0.05580 0.32560 ? O2 0.07990 0.54430 0.34120 ? O3 0.02109 0.22120 0.40130 ? O4 0.12559 0.27960 0.50610 ? O5 0.16661 0.21480 0.00850 ? O6 0.20824 0.00370 0.37980 ? O7 0.19596 -0.50270 0.38160 ? O8 0.12955 -0.25020 0.20460 ? O9 0.17616 0.25520 0.21050 ? O10 0.22232 -0.18960 0.15740 ? O11 0.07453 0.12700 0.06600 ? O12 0.02132 -0.28220 0.10220 ? 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 Na 0.01100 0.01900 0.01220 0.00000 0.00460 0.00000 Al1 0.00520 0.00690 0.00630 0.00010 0.00210 -0.00040 Fe2 0.00530 0.00680 0.00590 -0.00460 0.00080 -0.00030 Al3 0.00510 0.00570 0.00470 -0.00030 0.00190 -0.00040 Al4 0.00510 0.00450 0.00430 0.00080 0.00180 0.00020 P1 0.00460 0.00430 0.00450 -0.00010 0.00170 -0.00010 P2 0.00490 0.00470 0.00550 0.00000 0.00220 0.00020 O1 0.00840 0.00630 0.00820 0.00180 0.00270 -0.00090 O2 0.00750 0.00560 0.00810 -0.00030 0.00290 0.00180 O3 0.00570 0.00960 0.01090 -0.00040 0.00450 0.00210 O4 0.00890 0.00700 0.00560 -0.00120 0.00120 0.00070 O5 0.00850 0.00830 0.00730 0.00030 0.00450 -0.00020 O6 0.00740 0.00670 0.00770 -0.00020 0.00200 0.00220 O7 0.00780 0.00630 0.00770 0.00100 0.00280 -0.00180 O8 0.00790 0.00710 0.00620 0.00010 0.00330 0.00050 O9 0.00870 0.00760 0.00580 0.00030 0.00130 -0.00050 O10 0.00650 0.01030 0.01250 0.00150 0.00420 0.00190 O11 0.00550 0.00770 0.01060 -0.00020 0.00190 -0.00120 O12 0.00820 0.01000 0.01040 -0.00030 0.00300 0.00200