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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007547.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_9007547
loop_
_publ_author_name
'Khan, A. A.'
'Baur, W. H.'
_publ_section_title
;
 Salt hydrates. VIII. The crystal structures of sodium ammonium orthochromate
 dihydrate and magnesium diammonium bis(hydrogen orthophosphate) tetrahydrate
 and a discussion of the ammonium ion
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              683
_journal_page_last               693
_journal_volume                  28
_journal_year                    1972
_chemical_formula_structural     Na(NH4)CrO4*2H2O
_chemical_formula_sum            'Cr H4 N Na O6'
_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                   8.413
_cell_length_b                   13.039
_cell_length_c                   6.219
_cell_volume                     682.206
_exptl_crystal_density_diffrn    1.840
_[local]_cod_chemical_formula_sum_orig 'Na N Cr O6 H4'
_cod_database_code               9007547
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
Na 0.26100 0.49000 0.90000 0.03166
NH4 0.15600 0.85600 0.37600 0.03293
Cr 0.09700 0.12810 0.38320 0.02406
O1 0.08100 0.20600 0.18300 0.03926
O2 0.08200 0.18900 0.60700 0.04559
O3 0.27200 0.07200 0.37500 0.05066
O4 0.03900 0.53900 0.13400 0.03673
Wat5 0.19700 0.63300 0.67100 0.03546
Wat6 0.09000 0.40400 0.65400 0.03040
_journal_paper_doi 10.1107/S0567740872003024