#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/51/9015130.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_9015130
loop_
_publ_author_name
'Kierkegaard, P.'
_publ_section_title
;
 The crystal structure of U(SO4)2*4H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              599
_journal_page_last               616
_journal_paper_doi               10.3891/acta.chem.scand.10-0599
_journal_volume                  10
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 O12 S2 U'
_chemical_name_mineral           Behounekite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.674
_cell_length_b                   11.093
_cell_length_c                   5.688
_cell_volume                     925.885
_database_code_amcsd             0018327
_exptl_crystal_density_diffrn    3.603
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
        Water oxygen atoms renamed so that they are treated as oxygens
                                          miguel
;
_cod_original_formula_sum        'U S2 O12 H8'
_cod_database_code               9015130
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
U 0.17100 0.25000 0.12100
S 0.35100 0.05400 0.87900
O1 0.27000 0.12000 0.89000
O2 0.33000 0.92000 0.88000
O3 0.40000 0.08000 0.09000
O4 0.40000 0.08000 0.66000
O5 0.04000 0.25000 0.37000
O6 0.30000 0.25000 0.37000
O7 0.08000 0.12000 0.88000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018327
