#------------------------------------------------------------------------------
#$Date: 2018-01-13 05:35:18 +0200 (Sat, 13 Jan 2018) $
#$Revision: 205147 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/01/2020139.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_2020139
loop_
_publ_author_name
'Lucas, B. W.'
_publ_section_title
;
 The structure (neutron) of phase II cesium nitrate at 298 K, Cs N O3
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1591
_journal_page_last               1594
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Cs N O3'
_chemical_name_systematic        'Cs (N O3)'
_space_group_crystal_system      trigonal
_space_group_IT_number           144
_space_group_name_Hall           'P 31'
_space_group_name_H-M_alt        'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   10.95
_cell_length_b                   10.95
_cell_length_c                   7.8
_cell_volume                     809.941
_cod_data_source_file            Lucas_ACSCEE_1983_501.cif
_cod_data_source_block           Cs1N1O3
_cod_original_cell_volume        809.9412
_cod_original_formula_sum        'Cs1 N1 O3'
_cod_database_code               2020139
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z+1/3
3 -x+y,-x,z+2/3
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
Cs1 Cs+1 0.453 0.5644 0.6336 1 0.0
Cs2 Cs+1 0.1179 0.2229 0 1 0.0
Cs3 Cs+1 -0.222 0.2197 0.6459 1 0.0
N1 N+5 0.4422 0.5737 0.1113 1 0.0
N2 N+5 0.1056 0.2035 -0.4698 1 0.0
N3 N+5 -0.2578 0.2069 0.134 1 0.0
O1 O-2 0.3367 0.5581 0.0203 1 0.0
O2 O-2 0.4157 0.4942 0.2237 1 0.0
O3 O-2 0.5595 0.6616 0.0576 1 0.0
O4 O-2 0.0018 0.1128 -0.3849 1 0.0
O5 O-2 0.2251 0.2346 -0.4171 1 0.0
O6 O-2 0.0847 0.2561 -0.6029 1 0.0
O7 O-2 -0.3227 0.1187 0.2555 1 0.0
O8 O-2 -0.1312 0.2723 0.1217 1 0.0
O9 O-2 -0.3315 0.2241 0.0304 1 0.0
