#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/26/9012693.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_9012693
loop_
_publ_author_name
'von der Muhll, R.'
'Sadel, A.'
'Hagenmuller, P.'
_publ_section_title
;
 Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98Nb O3
 Note: x(O3) corrected to match reported bond lengths
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              176
_journal_page_last               182
_journal_paper_doi               10.1016/0022-4596(84)90331-1
_journal_volume                  51
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li0.02 Na0.98 Nb O3'
_chemical_name_mineral           Lueshite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P -2bc -2c'
_symmetry_space_group_name_H-M   'P c 21 b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.494
_cell_length_b                   15.461
_cell_length_c                   5.551
_cell_formula_units_Z            8
_cell_volume                     471.517
_database_code_amcsd             0013521
_exptl_crystal_density_diffrn    4.608
_cod_original_formula_sum        '(Li.02 Na.98) Nb O3'
_cod_database_code               9012693
loop_
_space_group_symop_operation_xyz
x,y,z
-x,y,1/2+z
x,1/2+y,1/2-z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li1 0.24380 0.12040 0.71490 0.02000
Na1 0.24380 0.12040 0.71490 0.98000
Li2 0.24150 0.37280 0.77320 0.02000
Na2 0.24150 0.37280 0.77320 0.98000
Nb1 0.25650 0.00000 0.22320 1.00000
Nb2 0.25400 0.25020 0.22920 1.00000
O1 0.45900 0.00540 0.55060 1.00000
O2 0.03270 -0.01320 -0.01860 1.00000
O3 -0.03710 0.26450 0.03580 1.00000
O4 0.53640 0.22990 0.46030 1.00000
O5 0.31240 -0.12730 0.27380 1.00000
O6 0.18710 0.12290 0.26490 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013521
