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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2003131.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_2003131
_journal_name_full               'Acta Crystallographica, Section B'
_journal_volume                  55
_journal_year     1999
_journal_page_first     348
_journal_page_last     354
_publ_section_title
;
The Crystal Structure of B-site Ordered Complex Perovskite
SrYb~0.5~Nb~0.5~O~3~
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
    _publ_author_name
    'Yang, Jae Ho'
    'Choo, Woong Kil'
    'Lee, Jin Ho'
    'Lee, Chang Hee'
_chemical_formula_sum     'Nb0.5 O3 Sr Yb0.5'
_symmetry_cell_setting     monoclinic
loop_
    _symmetry_equiv_pos_as_xyz
    +x,+y,+z
    -x+1/2,+y+1/2,-z+1/2
    -x,-y,-z
    +x-1/2,-y-1/2,+z-1/2
_cell_length_a     5.79095(8)
_cell_length_b     5.82210(7)
_cell_length_c     8.20358(12)
_cell_angle_alpha     90.0
_cell_angle_beta     90.1262(11)
_cell_angle_gamma     90.0
_cell_formula_units_Z     2
_diffrn_ambient_temperature     295
_diffrn_radiation_type     'Cu K\a'
_diffrn_radiation_wavelength     1.540562
_diffrn_measurement_device_type     'Rigaku Rotaflex'
_refine_ls_goodness_of_fit_all     3.28
_refine_ls_number_parameters     28
loop_
    _atom_type_symbol
    Sr
    Yb
    Nb
    O1
    O2
    O3
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Sr(1) 0.006(2) 0.0271(3) 0.2511(7) 0.66(4) Uiso 1.0
    Yb(2) 0.50000 0.00000 0.00000 0.32(4) Uiso 1.0
    Nb(3) 0.00000 0.50000 0.00000 0.26(6) Uiso 1.0
    O1(4) 0.19914 0.77266 0.03652 0.663 Uiso 1.0
    O2(5) 0.27028 0.30088 -0.96467 0.663 Uiso 1.0
    O3(6) 0.42994 0.01538 -0.26239 0.663 Uiso 1.0
_cod_database_code 2003131