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#$Date: 2015-10-08 11:57:43 +0300 (Thu, 08 Oct 2015) $
#$Revision: 161016 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/43/1534359.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_1534359
loop_
_publ_author_name
'Chernaya, T.S.'
'Volk, T.R.'
'Verin, I.A.'
'Blomberg, M.K.'
'Ivleva, L.I.'
'Maksimov, B.A.'
'Simonov, V.I.'
_publ_section_title
;
 X-ray diffraction study of cerium- and thulium-doped (Sr, Ba) Nb2 O6
 single crystals
;
_journal_name_full               Kristallografiya
_journal_page_first              1000
_journal_page_last               1005
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'Ba0.39 Ce0.01 Nb2 O6 Sr0.6'
_chemical_name_systematic        '(Sr0.6 Ba0.39 Ce0.01) (Nb2 O6)'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            5
_cell_length_a                   12.454
_cell_length_b                   12.454
_cell_length_c                   3.932
_cell_volume                     609.862
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Chernaya_KRISAJ_2003_481.cif
_cod_data_source_block           Ba0.39Ce0.01Nb2O6Sr0.6
_cod_original_cell_volume        609.8616
_cod_database_code               1534359
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Sr1 Sr+2 0 0 0.4868 0.697 0.0
Ba1 Ba+2 0.1733 0.6733 0.4886 0.486 0.0
Sr2 Sr+2 0.1532 0.6852 0.4967 0.199 0.0
O1 O-2 0.3436 0.006 -0.0441 1 0.0
O3 O-2 0.2814 0.7814 -0.0202 1 0.0
Nb2 Nb+5 0.0744 0.2114 -0.0094 1 0.0
O4 O-2 0.0128 0.5128 0.4849 0.5 0.0
O5 O-2 0.3058 0.4052 0.47 0.5 0.0
O6 O-2 0.2848 0.4449 0.4689 0.5 0.0
Ce1 Ce+3 0 0 0.4868 0.028 0.0
Nb1 Nb+5 0 0.5 0 1 0.0
O2 O-2 0.1394 0.0686 -0.04237 1 0.0
