#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310915.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310915
loop_
_publ_author_name
'Luzzati, V.'
_publ_section_title
;
 Structure cristalline de H N O3 (H2 O)3. I. Resolution de la structure,
 utilisation de la fonction de Patterson
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              152
_journal_page_last               157
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'H7 N O6'
_chemical_name_systematic        'H N O3 (H2 O)3'
_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_formula_units_Z            4
_cell_length_a                   9.5
_cell_length_b                   14.66
_cell_length_c                   3.38
_cell_volume                     470.733
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Luzzati_ACCRA9_1953_188.cif
_cod_data_source_block           H7N1O6
_cod_original_cell_volume        470.7326
_cod_original_formula_sum        'H7 N1 O6'
_cod_database_code               2310915
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-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
O2 O-2 0.9176 0.2814 0.169 1 0.0
O6 O-2 0.4525 0.3896 0.148 1 0.0
O4 O-2 0.201 0.1412 0.42 1 0.0
N1 N+5 0.023 0.3331 0.18 1 0.0
O3 O-2 0.0087 0.4104 0.314 1 0.0
O5 O-2 0.2564 0.4854 0.408 1 0.0
O1 O-2 0.1366 0.3057 0.047 1 0.0
