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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011294.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_9011294
loop_
_publ_author_name
'Arzt, S.'
'Glazer, A. M.'
_publ_section_title
;
 The optical activity and absolute optical chirality of NaNH4SO4*2H2O
 Locality: synthetic
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              425
_journal_page_last               431
_journal_paper_doi               10.1107/S0108768193014569
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'H8 N Na O6 S'
_chemical_name_mineral           Lecontite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.253
_cell_length_b                   8.228
_cell_length_c                   12.856
_cell_formula_units_Z            4
_cell_volume                     661.437
_exptl_crystal_density_diffrn    1.738
_cod_original_formula_sum        'N H8 Na S O6'
_cod_database_code               9011294
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N 0.36960 0.17290 0.85530 0.03800
H5 0.85000 0.38000 0.18900 0.10000
H6 0.78000 0.32900 0.10100 0.10000
H7 0.94000 0.24000 0.13600 0.10000
H8 0.75000 0.26000 0.17100 0.10000
Na 0.91120 0.26520 0.48480 0.02800
S 0.37290 0.08410 0.12830 0.02370
O1 0.18840 0.06740 0.19900 0.04300
O2 0.57320 0.06520 0.18820 0.04600
O3 0.36740 0.24530 0.08050 0.04900
O4 0.13990 0.04020 0.54680 0.03000
O5 0.68960 0.21180 0.63520 0.03400
O6 0.65900 0.07910 0.40400 0.03500
H1 0.78900 0.88900 0.16000 0.04500
H2 0.85000 0.72900 0.17200 0.04500
H3 0.39200 0.60000 0.14200 0.04500
H4 0.38000 0.48600 0.08000 0.04500
_cod_duplicate_entry 2101166
