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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/1/52/21/1522156.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_1522156
loop_
_publ_author_name
'Weitzel, H.'
'Behler, B.'
'Gruehn, R.'
_publ_section_title
;
 Beitraege zur Untersuchung nichtstoechiometrischer Verbindungen. XLV.
 Neue thermische Abbauprodukte von Ln2 Ce M O6 Cl3 (M = Nb, Ta;Ln = La-Sm)
 - Darstellung von strukturverwandtem (La, Tb)3.5 Ta O6 Cl4-x
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              221
_journal_page_last               232
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Ce Cl3.39 La2.25 Nb O6'
_chemical_name_systematic        '(La2.25 Ce) Nb O6 Cl3.39'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.95
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.288
_cell_length_b                   5.418
_cell_length_c                   9.522
_cell_volume                     1798.349
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weitzel_ZAACAB_1999_853.cif
_cod_data_source_block           Ce1Cl3.39La2.25Nb1O6
_cod_original_formula_sum        'Ce1 Cl3.39 La2.25 Nb1 O6'
_cod_database_code               1522156
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Cl3 Cl-1 0.92615 0 0.78683 1 0.0
Cl10 Cl-1 0 0 0 0.06 0.0
La1 La+3 0.11478 0 0.52817 0.692 0.0
Ce5 Ce+3 0.22846 0 0.12056 0.308 0.0
O3 O-2 0.28106 0.7371 0.11082 1 0.0
Ce6 Ce+3 0.29193 0 0.52256 0.308 0.0
Ce2 Ce+3 0.34384 0 0.16769 0.308 0.0
Cl7 Cl-1 0 0.1355 0 0.2294 0.0
Ce7 Ce+3 0 0 0.5 0.308 0.0
La5 La+3 0.22846 0 0.12056 0.692 0.0
Cl8 Cl-1 0 0.2738 0 0.385 0.0
O4 O-2 0.74534 0.7353 0.64189 1 0.0
Nb2 Nb+5 0.78834 0 0.27382 1 0.0
Ce3 Ce+3 0.46115 0 0.74225 0.308 0.0
O1 O-2 0.01983 0.7388 0.70599 1 0.0
La2 La+3 0.34384 0 0.16769 0.692 0.0
Cl6 Cl-1 0.30983 0 0.85627 1 0.0
Ce1 Ce+3 0.11478 0 0.52817 0.308 0.0
Ce4 Ce+3 0.93564 0 0.12516 0.308 0.0
Nb1 Nb+5 0.44334 0 0.36225 1 0.0
La3 La+3 0.46115 0 0.74225 0.692 0.0
Cl1 Cl-1 0.62204 0 0.38876 1 0.0
La7 La+3 0 0 0.5 0.692 0.0
Cl2 Cl-1 0.82194 0 0.64838 1 0.0
La4 La+3 0.93564 0 0.12516 0.692 0.0
La6 La+3 0.29193 0 0.52256 0.692 0.0
O5 O-2 0.82866 0.7627 0.35332 1 0.0
Cl9 Cl-1 0 0.3734 0 0.137 0.0
O6 O-2 0.04973 0.7375 0.47457 1 0.0
O2 O-2 0.90352 0.7378 0.2813 1 0.0
Cl5 Cl-1 0.14614 0 0.97454 1 0.0
Cl4 Cl-1 0.5856 0 0.00741 1 0.0
