#------------------------------------------------------------------------------
#$Date: 2021-05-27 11:57:08 +0200 (jue 27 de may de 2021) $
#$Revision: 265555 $
#$URL: svn://www.crystallography.net/cod/cif/1/56/29/1562937.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_1562937
loop_
_publ_author_name
'Franco, D.G.'
'Fuertes, V.C.'
'Blanco, M.C.'
'Fernández-Díaz, M.T.'
'Sánchez, R.D.'
'Carbonio, R.E.'
_publ_section_title
;
 Synthesis, structure and magnetic properties of La3Co2SbO9: A double
 perovskite with competing antiferromagnetic and ferromagnetic
 interactions
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              385
_journal_page_last               391
_journal_paper_doi               10.1016/j.jssc.2012.05.045
_journal_volume                  194
_journal_year                    2012
_chemical_formula_moiety         (Co2La3O9Sb)0.3333
_chemical_formula_structural     (La3Co2SbO9)0.3333
_chemical_formula_sum            'Co0.6666 La0.9999 O2.9997 Sb0.3333'
_chemical_name_common
'Cobalt Lanthanum Antimony Oxide (0.67/1/0.33/3)'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 89.997(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.61685(16)
_cell_length_b                   5.68375(15)
_cell_length_c                   7.9597(2)
_cell_measurement_temperature    2
_cell_volume                     254.112(12)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      2
_diffrn_measurement_method       'neutron diffraction'
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.60000
_diffrn_source                   'nuclear reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050016
_pd_meas_2theta_range_max        159.89999
_pd_meas_2theta_range_min        0.10000
_pd_meas_number_of_points        3197
_pd_prep_pressure                101.3
_pd_prep_temperature             1673
_pd_proc_2theta_range_inc        0.050016
_pd_proc_2theta_range_max        159.7726
_pd_proc_2theta_range_min        -0.0274
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.7493
_pd_proc_ls_prof_wR_expected     1.9339
_pd_proc_ls_prof_wR_factor       3.5955
_pd_proc_wavelength              1.600000
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     31
_refine_ls_number_reflns         494
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.0662
_cod_data_source_file            JSSC-2012-194-385.cif
_cod_data_source_block           La3Co2SbO9
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        254.111(12)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        (Co2La3O9Sb)0.3333
_cod_database_code               1562937
_chemical_formula_density        6.972
_pd_proc_ls_prof_cr_factor       11.2504
_pd_proc_ls_prof_cwr_factor      10.5350
_pd_proc_ls_prof_cwr_expected    5.6664
_pd_proc_ls_prof_chi2            3.4566
_pd_proc_ls_prof_echi2           3.5767
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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
La1 La3+ 0.4914(2) 0.54189(13) 0.2501(6) 0.01608(18) 1.00000 Uiso
Co1 Co2+ 0.50000 0.00000 0.00000 0.0071(18) 1.00000 Uiso
Co2 Co2+ 0.00000 0.50000 0.00000 0.0052(8) 0.33334 Uiso
Sb2 Sb5+ 0.00000 0.50000 0.00000 0.0052(8) 0.66666 Uiso
O1 O2- 0.2891(7) 0.2978(5) 0.0388(4) 0.0151(8) 1.00000 Uiso
O2 O2- 0.2050(6) 0.7829(4) 0.0458(4) 0.0046(6) 1.00000 Uiso
O3 O2- 0.5807(2) 0.98264(19) 0.2572(5) 0.0108(3) 1.00000 Uiso
loop_
_atom_type_symbol
_atom_type_scat_length_neutron
_atom_type_scat_source
La 0.82400 V.F._Sears_Neutron_News_3_26_(1992)
Co 0.24900 V.F._Sears_Neutron_News_3_26_(1992)
Sb 0.55700 V.F._Sears_Neutron_News_3_26_(1992)
O 0.58030 V.F._Sears_Neutron_News_3_26_(1992)
