data_global _chemical_name_mineral 'Beshtauite' loop_ _publ_author_name 'Pekov I V' 'Krivovichev S V' 'Yapaskurt V O' 'Chukanov N V' 'Belakovskiy D I' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 1783 _journal_page_last 1787 _publ_section_title ; Beshtauite, (NH4)2(UO2)(SO4)2*2H2O, a new mineral from Mount Beshtau, Northern Caucasus, Russia ; _database_code_amcsd 0020412 _chemical_compound_source 'Mount Beshtau, Stavropol region, Northern Caucasus, Russia' _chemical_formula_sum 'U S2 O12 (N2 H12)' _cell_length_a 7.7360 _cell_length_b 7.3712 _cell_length_c 20.856 _cell_angle_alpha 90 _cell_angle_beta 102.123 _cell_angle_gamma 90 _cell_volume 1162.762 _exptl_crystal_density_diffrn 3.052 _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 _atom_site_U_iso_or_equiv U 0.23061 0.38928 0.37715 0.02930 S1 0.54910 0.71630 0.45439 0.03040 S2 0.14300 0.72700 0.24760 0.03560 O1 0.41300 0.36690 0.33720 0.03600 O2 0.04670 0.41140 0.41520 0.04000 O3 0.40130 0.25690 0.47390 0.03900 O4 0.37160 0.63240 0.44100 0.03800 O5 0.53660 0.89220 0.42240 0.04400 O6 0.67650 0.59950 0.43120 0.04300 O7 0.13710 0.64720 0.31340 0.04300 O8 0.04410 0.27410 0.28190 0.04900 O9 0.21200 0.60140 0.20780 0.06100 O10 0.24900 0.89030 0.26010 0.05600 Wat1 0.21990 0.05270 0.37630 0.04100 Wat2 0.75910 0.19760 0.43340 0.05500 N1 0.65690 0.72680 0.29810 0.04000 H1a 0.65690 0.72680 0.29810 0.04000 H1b 0.65690 0.72680 0.29810 0.04000 H1c 0.65690 0.72680 0.29810 0.04000 H1d 0.65690 0.72680 0.29810 0.04000 N2 0.98200 0.84300 0.44490 0.06000 H2a 0.98200 0.84300 0.44490 0.06000 H2b 0.98200 0.84300 0.44490 0.06000 H2c 0.98200 0.84300 0.44490 0.06000 H2d 0.98200 0.84300 0.44490 0.06000 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 U 0.02490 0.03550 0.02410 -0.00077 -0.00270 0.00004 S1 0.02960 0.03410 0.02360 -0.00210 -0.00290 0.00090 S2 0.03490 0.03800 0.02930 0.00330 -0.00420 0.00390 O1 0.01800 0.05300 0.03300 0.01300 -0.00100 -0.00200 O2 0.01500 0.05400 0.04800 0.00600 -0.00300 0.00200 O3 0.03900 0.04400 0.02600 0.00200 -0.00700 -0.00900 O4 0.03100 0.04100 0.04000 -0.01400 0.00600 -0.01200 O5 0.03800 0.04900 0.04100 -0.00200 -0.00100 0.01200 O6 0.03500 0.05100 0.04000 0.00800 0.00200 -0.00800 O7 0.04100 0.05300 0.03000 0.00000 -0.00200 0.01200 O8 0.04000 0.06100 0.04100 -0.01000 -0.00300 -0.00400 O9 0.07800 0.05900 0.05100 0.02600 0.02500 0.00700 O10 0.05800 0.05900 0.04500 -0.02100 0.00000 0.00200 Wat1 0.03500 0.03100 0.04500 0.00700 -0.02100 0.00200 Wat2 0.05700 0.05300 0.05900 -0.00500 0.02100 0.00100 N1 0.05100 0.03400 0.03800 0.00600 0.01800 0.00700 H1a 0.05100 0.03400 0.03800 0.00600 0.01800 0.00700 H1b 0.05100 0.03400 0.03800 0.00600 0.01800 0.00700 H1c 0.05100 0.03400 0.03800 0.00600 0.01800 0.00700 H1d 0.05100 0.03400 0.03800 0.00600 0.01800 0.00700 N2 0.03100 0.09400 0.05100 -0.00500 0.00100 0.00500 H2a 0.03100 0.09400 0.05100 -0.00500 0.00100 0.00500 H2b 0.03100 0.09400 0.05100 -0.00500 0.00100 0.00500 H2c 0.03100 0.09400 0.05100 -0.00500 0.00100 0.00500 H2d 0.03100 0.09400 0.05100 -0.00500 0.00100 0.00500