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