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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/68/1526805.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_1526805
loop_
_publ_author_name
'Thangadurai, V.'
'Schmid-Beurmann, P.'
'Weppner, W.'
_publ_section_title
;
 Synthesis, structure and electrical conductivity of A' (A2 B3 O10) (A' =
 Rb, Cs; A = Sr, Ba; B = Nb, Ta): new members of Dion-Jacobson-type
 layered perovskites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              279
_journal_page_last               289
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'Cs Nb3 O10 Sr2'
_chemical_name_systematic        'Cs Sr2 (Nb3 O10)'
_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                   3.9077
_cell_length_b                   3.9077
_cell_length_c                   15.414
_cell_volume                     235.374
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Thangadurai_JSSCBI_2001_1553.cif
_cod_data_source_block           Cs1Nb3O10Sr2
_cod_original_cell_volume        235.3736
_cod_original_formula_sum        'Cs1 Nb3 O10 Sr2'
_cod_database_code               1526805
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
Nb2 Nb+5 0 0 0.2839 1 0.0
Cs1 Cs+1 0.5 0.5 0.5 1 0.0
Nb1 Nb+5 0 0 0 1 0.0
O2 O-2 0 0 0.128 1 0.0
O1 O-2 0 0.5 0 1 0.0
Sr1 Sr+2 0.5 0.5 0.1445 1 0.0
O4 O-2 0 0 0.39 1 0.0
O3 O-2 0 0.5 0.258 1 0.0
