#------------------------------------------------------------------------------
#$Date: 2016-11-05 12:12:09 +0200 (Sat, 05 Nov 2016) $
#$Revision: 187866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/45/1544502.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_1544502
loop_
_publ_author_name
'Iwasaki, K'
'Yamane, H.'
'Murase, T.'
'Yoshino, M.'
'Ito, T.'
'Nagasaki, T.'
'Arita, Y.'
'Matsui, T.'
_publ_section_title
;
 Crystal structure of an oxygen deficient strontium cobaltate, Sr6Co5O14.3
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              89
_journal_page_last               93
_journal_volume                  117
_journal_year                    2009
_chemical_formula_sum            'Co5 O14.3 Sr6'
_chemical_name_common            Sr6Co5O14.3
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.4334(6)
_cell_length_b                   9.4334(6)
_cell_length_c                   12.5156(6)
_cell_volume                     964.54(10)
_cod_data_source_file            Sr6Co5O14.3.cif
_cod_data_source_block           Sr6Co5O14.3
_cod_original_formula_sum        'Sr6 Co5 O14.3'
_cod_database_code               1544502
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Sr1 1.0 0.3275(2) 0.0089(4) 0.9961(2) Uiso 0.027222 Sr
Sr2 1.0 0.6418(2) 0.0002(2) 0.49876(7) Uiso 0.005322 Sr
Co1 1.0 0.000000 0.000000 0.5070(5) Uiso 0.028867 Co
Co2 1.0 0.000000 0.000000 0.7117(4) Uiso 0.009133 Co
Co3 1.0 0.000000 0.000000 0.2942(4) Uiso 0.010178 Co
Co4 1.0 0.000000 0.000000 0.9079(4) Uiso 0.009122 Co
Co5 1.0 0.000000 0.000000 0.9079(4) Uiso 0.010000 Co
O1A 0.3900 0.995(4) 0.848(3) 0.390(2) Uiso 0.015000 O
O1B 0.3900 0.923(3) 0.845(2) 0.413(2) Uiso 0.007000 O
O2 1.0 0.844(2) 0.997(2) 0.6196(11) Uiso 0.019711 O
O3 1.0 0.6734(14) 0.4935(14) 0.5260(8) Uiso 0.007889 O
O4 1.0 0.4965(14) 0.6776(14) 0.4779(8) Uiso 0.007778 O
O5 1.0 0.839(2) 0.998(2) 0.0009(9) Uiso 0.013333 O
