data_global _chemical_name_mineral 'Boggildite' loop_ _publ_author_name 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 20 _journal_year 1982 _journal_page_first 263 _journal_page_last 270 _publ_section_title ; The crystal structure of boggildite ; _database_code_amcsd 0005187 _chemical_formula_sum 'Sr2 P Al2 Na2 O4 F9' _cell_length_a 5.251 _cell_length_b 10.464 _cell_length_c 18.577 _cell_angle_alpha 90 _cell_angle_beta 107.53 _cell_angle_gamma 90 _cell_volume 973.337 _exptl_crystal_density_diffrn 3.693 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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 Sr1 0.33930 0.03960 0.33111 Sr2 0.35660 0.46320 0.35754 P 0.94660 0.25000 0.90920 Al1 0.00000 0.00000 0.00000 Al2 0.00000 0.00000 0.50000 Al3 0.69510 0.24690 0.24040 Na1 0.11050 0.24250 0.63100 Na2 0.54080 0.21940 0.51940 O1 0.22260 0.24350 0.39900 O2 0.86440 0.11210 0.91890 O3 0.93470 0.17300 0.47840 O4 0.72990 0.30310 0.83900 F1 0.30300 0.09130 0.03650 F2 0.43970 0.12430 0.21110 F3 0.85130 0.09190 0.06040 F4 0.93800 0.13150 0.23240 F5 0.93320 0.12610 0.76290 F6 0.63960 0.21410 0.64310 F7 0.34310 0.03390 0.54800 F8 0.44130 0.13590 0.73950 F9 0.07090 0.96630 0.41170 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 Sr1 0.01644 0.01353 0.00429 -0.00040 -0.00036 0.00009 Sr2 0.01725 0.01381 0.00556 -0.00042 -0.00076 0.00066 P 0.01677 0.01109 0.00318 -0.00027 -0.00135 0.00000 Al1 0.01118 0.01331 0.00318 0.00000 -0.00045 0.00000 Al2 0.01486 0.01387 0.00159 0.00000 0.00045 0.00000 Al3 0.01397 0.01165 0.00318 0.00053 -0.00315 -0.00094 Na1 0.02451 0.02774 0.03020 0.00027 -0.01123 -0.00376 Na2 0.02235 0.03495 0.00636 0.00053 0.00000 0.00282 O1 0.01816 0.01553 0.00795 -0.00133 -0.00404 0.00188 O2 0.02591 0.01054 0.00477 -0.00053 -0.00270 0.00282 O3 0.02718 0.01720 0.00477 0.00000 0.00225 0.00094 O4 0.07354 0.04826 0.03656 0.00717 0.00315 0.00376 F1 0.01562 0.01831 0.01590 -0.00451 -0.00719 0.00470 F2 0.01626 0.01831 0.00636 -0.00212 0.00000 -0.00188 F3 0.02642 0.02052 0.00954 0.00159 0.00584 0.00094 F4 0.01677 0.01498 0.01431 0.00531 0.00225 -0.00188 F5 0.01893 0.01609 0.00954 0.00531 -0.00225 -0.00094 F6 0.02108 0.02995 0.00318 0.00027 0.00270 -0.00282 F7 0.01511 0.02607 0.01113 0.00186 -0.00045 0.00563 F8 0.02197 0.01720 0.01272 -0.00425 0.00270 0.00188 F9 0.02401 0.02052 0.00318 -0.00080 0.00449 0.00094