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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/38/4343826.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_4343826
loop_
_publ_author_name
'Choi Jonglak'
'Zhang Xiao'
'Wiley, J.B.'
_publ_section_title
;
 Building alkali-metal-halide layers within a perovskite host by
 sequential intercalation: (A2 Cl) Na Nb2 O7 (A = Rb, Cs)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4811
_journal_page_last               4816
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'Cl0.97 Cs1.92 La Nb2 O7'
_chemical_name_systematic        '(Cs2 Cl) La Nb2 O7'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.92182
_cell_length_b                   3.92182
_cell_length_c                   15.3107
_cell_volume                     235.489
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            ChoiJonglak_INOCAJ_2009_1735.cif
_cod_data_source_block           Cl0.97Cs1.92La1Nb2O7
_cod_original_cell_volume        235.4889
_cod_original_formula_sum        'Cl0.97 Cs1.92 La1 Nb2 O7'
_cod_database_code               4343826
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
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 0 0.3609 0.96 0.0
O2 O-2 0.5 0.5 0 1 0.0
O1 O-2 0.5 0.5 0.2564 1 0.0
Cl1 Cl-1 0.5 0.5 0.5 0.97 0.0
Nb1 Nb+5 0.5 0.5 0.146 1 0.0
La1 La+3 0 0 0 1 0.0
O3 O-2 0 0.5 0.1231 1 0.0
