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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/46/9014651.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014651
loop_
_publ_author_name
'Plasil, J.'
'Hlousek, J.'
'Veselovsky, F.'
'Fejfarova, K.'
'Dusek, M.'
'Skoda, R.'
'Novak, M.'
'Cejka, J.'
'Sejkora, J.'
'Ondrus, P.'
_publ_section_title
;
 Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl,
 sulphate mineral from Jachymov, Czech Republic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              447
_journal_page_last               454
_journal_paper_doi               10.2138/am.2012.3976
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Jachymov, Czech Republic'
_chemical_formula_sum            'H3 K O8 S U'
_chemical_name_mineral           Adolfpateraite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.726
_cell_angle_gamma                90
_cell_length_a                   8.0462
_cell_length_b                   7.9256
_cell_length_c                   11.3206
_cell_formula_units_Z            4
_cell_volume                     687.651
_database_code_amcsd             0018778
_exptl_crystal_density_diffrn    4.252
_cod_original_formula_sum        'K U S O8 H3'
_cod_database_code               9014651
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
K 0.06060 0.53510 0.29766 0.02100
U 0.57544 0.39873 0.29873 0.01234
S 0.20380 0.26560 0.03944 0.01370
O1 0.21580 0.07910 0.06070 0.01930
O2 0.43360 0.14360 0.30970 0.01600
O3 0.14820 0.20380 0.40620 0.02100
O4 0.74820 0.32530 0.24400 0.01950
O5 0.41080 0.48510 0.35450 0.01950
O6 0.37860 0.34210 0.09460 0.02200
O7 0.07970 0.33320 0.09740 0.02560
O8 0.26540 0.73360 0.01350 0.02890
H2a 0.35900 0.13700 0.33500 0.02200
H8a 0.15900 0.69500 0.00200 0.03470
H8b 0.32500 0.64500 0.00800 0.03470
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018778
