#------------------------------------------------------------------------------
#$Date: 2023-11-12 11:37:04 +0100 (Sun 12 de Nov de 2023) $
#$Revision: 287555 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/80/9008047.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_9008047
loop_
_publ_author_name
'Ziegler, G. E.'
_publ_section_title
;
 The crystal structure of lithium sulphate mono-hydrate, Li2SO4*H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              456
_journal_page_last               461
_journal_volume                  89
_journal_year                    1934
_chemical_formula_structural     Li2SO4*H2O
_chemical_formula_sum            'H2 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                   5.44
_cell_length_b                   4.84
_cell_length_c                   8.16
_cell_volume                     204.815
_cell_formula_units_Z            2
_cod_depositor_comments
;
    Z value inserted to be consistent with given formula
    Renamed water oxygens so that they are recognized as oxygens.
                               miguel
;
_exptl_crystal_density_diffrn    2.067
_cod_original_formula_sum        'Li2 S O5 H2'
_cod_database_code               9008047
loop_
_symmetry_equiv_pos_as_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
Li1 -0.06900 0.54200 -0.38600
Li2 0.16700 0.47800 0.00300
S 0.20800 0.00000 -0.21100
O1 0.15300 -0.13900 -0.08300
O2 0.50000 -0.02800 -0.19200
O3 0.07800 -0.07800 -0.39700
O4 0.16100 0.30600 -0.19700
O5 0.56900 0.47200 -0.38600
_database_code_amcsd 0010548
