#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007891.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_9007891
loop_
_publ_author_name
'Adiwidjaja, G.'
'Pohl, D.'
_publ_section_title
;
 Superstructure of a-phase potassium nitrate
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i139
_journal_page_last               i140
_journal_volume                  59
_journal_year                    2003
_chemical_formula_sum            'K N O3'
_chemical_name_mineral           Niter
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.825
_cell_length_b                   18.351
_cell_length_c                   6.435
_cell_formula_units_Z            16
_cell_volume                     1278.310
_exptl_crystal_density_diffrn    2.101
_cod_database_code               9007891
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.00000 0.41703 0.26040
K2 0.50000 0.41679 0.26140
K3 0.24980 0.16670 0.25104
N1 0.00000 0.24830 0.42150
N2 0.50000 0.24690 0.42080
N3 0.24970 0.49790 0.09110
O1 0.00000 0.18070 0.41400
O2 0.50000 0.17880 0.41380
O3 0.09990 0.28300 0.42060
O4 0.39870 0.28090 0.42480
O5 0.15060 0.53130 0.09840
O6 0.34790 0.53210 0.08960
O7 0.24780 0.42960 0.09370
_journal_paper_doi 10.1107/S0108270103025277
_cod_duplicate_entry 2013633
