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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/58/1535829.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1535829
loop_
_publ_author_name
'Udovenko, A.A.'
'Davidovich, R.L.'
_publ_section_title
;
 Crystal structure of potassium nitratotrichlorobismuthate(III) KBiCl3NO3
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1354
_journal_page_last               1356
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Bi Cl3 K N O3'
_chemical_name_systematic        'K (Bi Cl3 (N O3))'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                103.8
_cell_formula_units_Z            4
_cell_length_a                   9.203
_cell_length_b                   9.493
_cell_length_c                   8.685
_cell_volume                     736.855
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Udovenko_KOKHDC_1991_1219.cif
_cod_data_source_block           Bi1Cl3K1N1O3
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'Bi1 Cl3 K1 N1 O3'
_cod_database_code               1535829
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x,-y,-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
O1 O-2 0.217 0.464 0.219 1 0.0
Cl1 Cl-1 0.3609 0.358 -0.084 1 0.0
N1 N+5 0.331 0.446 0.297 1 0.0
O2 O-2 0.382 0.352 0.295 1 0.0
Cl2 Cl-1 0.1352 0.0217 -0.1415 1 0.0
Cl3 Cl-1 -0.0324 0.3139 -0.0531 1 0.0
O3 O-2 0.391 0.571 0.378 1 0.0
Bi1 Bi+3 0.156 0.2038 0.0808 1 0.0
K1 K+1 0.3539 0.2014 0.5921 1 0.0
