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#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/19/1521952.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1521952
loop_
_publ_author_name
'Solans, X.'
'Mata, J.'
'Calvet, M.T.'
'Font-Bardia, M.'
_publ_section_title
;
 X-ray structural characterization, Raman and thermal analysis of Li N H4
 S O4 above room temperature
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8995
_journal_page_last               9007
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'H4 Li N O4 S'
_chemical_name_systematic        'Li (N H4) (S O4)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.276
_cell_length_b                   8.768
_cell_length_c                   9.122
_cell_volume                     421.983
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Solans_JCOMEL_1999_103.cif
_cod_data_source_block           H4Li1N1O4S1
_cod_original_cell_volume        421.9834
_cod_original_sg_symbol_Hall     'P 2c -2n (z,x,y)'
_cod_original_formula_sum        'H4 Li1 N1 O4 S1'
_cod_database_code               1521952
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
x+1/2,-y+1/2,z+1/2
x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
O2 O-2 0.1281 0.2736 0.2834 1 0.0 0
O3 O-2 0.0825 0.2554 0.5352 1 0.0 0
O4 O-2 0.5186 0.2587 0.4451 1 0.0 0
O1 O-2 0.2422 0.0364 0.4107 1 0.0 0
S1 S+6 0.25 0.2037 0.4169 1 0.0 0
Li1 Li+1 0.743 0.1768 0.5881 1 0.0 0
N1 N-3 0.2492 -0.0033 0.7847 1 0.0 4
