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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/9/01/43/9014347.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_9014347
loop_
_publ_author_name
'Ziegler, G.'
_publ_section_title
;
 The Crystal Structure of Lithium Sulphate Mono-Hydrate, Li2 S O4
 (H2 O)
 _cod_database_code 1010246
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              456
_journal_page_last               461
_journal_volume                  89
_journal_year                    1934
_chemical_formula_sum            'Li2 O5 S'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.58
_cell_angle_gamma                90
_cell_length_a                   5.43
_cell_length_b                   4.83
_cell_length_c                   8.14
_cell_formula_units_Z            2
_cell_volume                     203.516
_database_code_amcsd             0017180
_exptl_crystal_density_diffrn    2.055
_cod_duplicate_entry             1010246
_cod_original_formula_sum        'S O5 Li2'
_cod_database_code               9014347
_amcsd_formula_title             'H2 Li2 O5 S'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
S1 0.20800 0.00000 -0.21100 0
O1 0.15300 -0.13900 -0.08300 0
O2 0.50000 -0.02800 -0.19200 0
O3 0.07800 -0.07800 -0.39700 0
O4 0.16100 0.30600 -0.19700 0
O5 0.56900 0.47200 -0.38600 2
Li1 -0.06900 0.54200 -0.38600 0
Li2 0.16700 0.47800 0.00300 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017180