data_global _chemical_name_mineral 'Bluelizardite' loop_ _publ_author_name 'Plasil J' 'Kampf A R' 'Kasatkin A V' 'Marty J' _journal_name_full 'Journal of Geosciences' _journal_volume 59 _journal_year 2014 _journal_page_first 145 _journal_page_last 158 _publ_section_title ; Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA ; _database_code_amcsd 0020418 _chemical_compound_source 'Blue Lizard mine, San Juan County, Utah, USA' _chemical_formula_sum 'Na7 U S4 Cl.94 O20.06 H4' _cell_length_a 21.1507 _cell_length_b 5.3469 _cell_length_c 34.6711 _cell_angle_alpha 90 _cell_angle_beta 104.913 _cell_angle_gamma 90 _cell_volume 3788.911 _exptl_crystal_density_diffrn 3.105 _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_occupancy _atom_site_U_iso_or_equiv Na1 0.50000 0.50000 0.50000 1.00000 0.01680 Na2 0.50000 0.36880 0.75000 1.00000 0.02610 Na3 0.24344 0.87550 0.66014 1.00000 0.02360 Na4 0.31919 0.41310 0.75567 1.00000 0.02930 Na5 0.37872 0.98720 0.50389 1.00000 0.02130 Na6 0.69460 0.74270 0.58061 1.00000 0.02730 Na7 0.43332 0.41890 0.57801 1.00000 0.02300 Na8 0.34817 0.38120 0.65853 1.00000 0.02680 U 0.51979 0.88926 0.66688 1.00000 0.00965 S1 0.39880 0.82919 0.72524 1.00000 0.01116 S2 0.19437 0.38979 0.67998 1.00000 0.01280 S3 0.35667 0.93456 0.60518 1.00000 0.01240 S4 0.52816 0.97992 0.56514 1.00000 0.01085 Cl 0.35728 1.49234 0.49530 0.94000 0.02550 O21 0.35728 1.49234 0.49530 0.06000 0.02550 O1 0.39670 1.10090 0.72350 1.00000 0.02110 O2 0.45053 0.73220 0.70702 1.00000 0.02110 O3 0.33715 0.71350 0.70406 1.00000 0.01870 O4 0.41507 0.73380 0.76693 1.00000 0.01610 O5 0.19330 0.62550 0.70048 1.00000 0.02630 O6 0.22590 0.42170 0.64714 1.00000 0.02040 O7 0.22999 0.19990 0.70751 1.00000 0.02900 O8 0.12656 0.29950 0.66314 1.00000 0.02060 O9 0.29776 1.02790 0.61533 1.00000 0.01990 O10 0.36035 1.02750 0.56665 1.00000 0.02590 Oil 0.36047 0.66180 0.60765 1.00000 0.02210 O12 0.41380 1.04590 0.63616 1.00000 0.01670 O13 0.50291 0.72620 0.55835 1.00000 0.02180 O14 0.48627 1.15510 0.53732 1.00000 0.01890 O15 0.59554 0.99620 0.56187 1.00000 0.01930 O16 0.52671 1.06430 0.60633 1.00000 0.01560 O17 0.50283 0.59960 0.64233 1.00000 0.01600 O18 0.53365 1.18010 0.69168 1.00000 0.01760 Owl9 0.64780 0.42230 0.60943 1.00000 0.02640 Ow20 0.23476 0.51500 0.53951 1.00000 0.04000 H1 0.61690 0.48300 0.61930 1.00000 0.03160 H2 0.26910 0.46300 0.53230 1.00000 0.04800 H3 0.23910 0.67400 0.54540 1.00000 0.04800 H4 0.63320 0.29000 0.59520 1.00000 0.03160 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 Na1 0.03110 0.01020 0.01210 -0.00200 0.01120 -0.00050 Na2 0.03000 0.02260 0.02480 0.00000 0.00540 0.00000 Na3 0.02240 0.02450 0.02460 -0.00060 0.00740 0.00380 Na4 0.04370 0.02630 0.02070 -0.01270 0.01310 0.00160 Na5 0.02930 0.01770 0.01800 -0.00130 0.00800 -0.00090 Na6 0.02940 0.02880 0.02140 0.00310 0.00220 0.00340 Na7 0.02630 0.02140 0.02410 -0.00280 0.01160 -0.00500 Na8 0.03450 0.02180 0.02680 -0.00150 0.01270 -0.00570 U 0.01006 0.01104 0.00808 0.00043 0.00274 0.00091 S1 0.01040 0.01360 0.00950 -0.00130 0.00250 0.00070 S2 0.01050 0.01450 0.01350 0.00010 0.00310 -0.00100 S3 0.01130 0.01490 0.01120 0.00110 0.00330 0.00010 S4 0.01330 0.01100 0.00890 -0.00040 0.00390 0.00010 Cl 0.03350 0.01640 0.02390 0.00100 0.00250 -0.00080 O21 0.03350 0.01640 0.02390 0.00100 0.00250 -0.00080 O1 0.02970 0.01480 0.01840 -0.00100 0.00550 0.00110 O2 0.01850 0.02870 0.01980 0.00680 0.01180 0.00650 O3 0.01250 0.02380 0.01700 -0.00470 -0.00160 -0.00060 O4 0.01980 0.01880 0.00890 -0.00370 0.00240 0.00150 O5 0.03390 0.02140 0.02890 -0.00500 0.01790 -0.01050 O6 0.01730 0.02690 0.01990 -0.00330 0.01020 -0.00730 O7 0.02210 0.03000 0.03030 0.00550 -0.00160 0.01090 O8 0.01150 0.03240 0.01800 -0.00280 0.00400 -0.00500 O9 0.01260 0.02380 0.02470 0.00360 0.00740 -0.00140 O10 0.03200 0.03440 0.01300 -0.00020 0.00890 0.00290 Oil 0.02200 0.01460 0.02960 -0.00010 0.00680 -0.00330 O12 0.01250 0.01770 0.01790 0.00130 0.00010 -0.00170 O13 0.03190 0.01460 0.02140 -0.00920 0.01130 -0.00450 O14 0.02080 0.02130 0.01370 0.00330 0.00310 0.00560 O15 0.01340 0.02440 0.02230 -0.00180 0.00860 -0.00130 O16 0.02190 0.01590 0.01020 -0.00200 0.00660 -0.00220 O17 0.01760 0.01410 0.01600 0.00000 0.00410 -0.00040 O18 0.02420 0.01280 0.01460 -0.00010 0.00310 -0.00190 Owl9 0.02150 0.02300 0.03360 -0.00330 0.00530 -0.00730 Ow20 0.02900 0.03990 0.05170 -0.00910 0.01130 -0.00170