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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007940.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_9007940
loop_
_publ_author_name
'Johnston, M. G.'
'Harrison, W. T. A.'
_publ_section_title
;
 Dilithium selenate hydrate, Li2SeO4*H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i25
_journal_page_last               i27
_journal_paper_doi               10.1107/S1600536803002526
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     Li2SeO4*H2O
_chemical_formula_sum            'H2 Li2 O5 Se'
_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                 107.634
_cell_angle_gamma                90
_cell_length_a                   5.5798
_cell_length_b                   5.0284
_cell_length_c                   8.4521
_cell_formula_units_Z            2
_cell_volume                     226.001
_exptl_crystal_density_diffrn    2.569
_cod_original_formula_sum        'Li2 Se O5 H2'
_cod_database_code               9007940
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
_atom_site_U_iso_or_equiv
Li1 0.31490 0.60100 0.49820 0.01940
Li2 0.56180 0.58700 0.89730 0.02160
Se1 0.28578 0.10066 0.70808 0.01246
O1 0.32720 -0.22270 0.71090 0.02000
O2 0.39420 0.22930 0.56660 0.01980
O3 0.44470 0.22060 0.88870 0.01880
O4 -0.00810 0.17590 0.67160 0.02250
O5 0.90580 0.56200 0.89930 0.04270
H1 0.95940 0.47980 0.81060 0.09000
H2 0.99660 0.71860 0.93890 0.18000
_cod_duplicate_entry 2201760
