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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016715.cif $
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#
# 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_9016715
loop_
_publ_author_name
'Istomin, S. Y.'
'D'yachenko, O. G.'
'Antipov, E. V.'
'Svensson, G.'
'Nygren, M.'
_publ_section_title
;
 Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              743
_journal_page_last               749
_journal_volume                  29
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'La0.1 Nb2 O6 Sr0.9'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90.19
_cell_angle_gamma                90
_cell_length_a                   11.021
_cell_length_b                   7.675
_cell_length_c                   5.584
_cell_volume                     472.327
_database_code_amcsd             0018963
_exptl_crystal_density_diffrn    5.267
_[local]_cod_cif_authors_sg_H-M  'P 1 n m a 1'
_[local]_cod_chemical_formula_sum_orig '(Sr.9 La.1) Nb2 O6'
_cod_database_code               9016715
_amcsd_formula_title             Sr0.9La0.1Nb2O6
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sr 0.04130 0.25000 0.54040 0.90000 0.01786
La 0.04130 0.25000 0.54040 0.10000 0.01786
Nb 0.14190 -0.00440 0.03600 1.00000 0.01722
O1 -0.02450 0.03600 0.22700 1.00000 0.01140
O2 0.21080 0.04900 0.36500 1.00000 0.01646
O3 0.14710 0.25000 -0.03000 1.00000 0.00507
O4 0.12300 -0.25000 0.13600 1.00000 0.01140
_journal_paper_doi 10.1016/0025-5408(94)90199-6