#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002266.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_2002266
loop_
_publ_author_name
'Lehmann, U'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Ein Beitrag zur Chemie der Oxocobaltate(II): La2 Co O4, Sm2 Co O4
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              59
_journal_page_last               63
_journal_paper_doi               10.1002/zaac.19804700108
_journal_volume                  470
_journal_year                    1980
_chemical_formula_structural     'Sm2 Co O4'
_chemical_formula_sum            'Co O4 Sm2'
_chemical_name_systematic        'Disamarium cobalt oxide'
_space_group_IT_number           42
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.312
_cell_length_b                   5.363
_cell_length_c                   11.869
_cell_volume                     338.1
_refine_ls_R_factor_all          0.109
_cod_database_code               2002266
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sm1 Sm3+ 4 a 0. 0. 0.3558 1. 0 d
Sm2 Sm3+ 4 a 0. 0. 0.6345 1. 0 d
Co1 Co2+ 4 a 0. 0. 0. 1. 0 d
O1 O2- 8 b 0.25 0.25 0. 1. 0 d
O2 O2- 4 a 0. 0. 0.164 0.5 0 d
O3 O2- 4 a 0. 0. 0.8364 0.5 0 d
O4 O2- 4 a 0. 0. 0.177 0.5 0 d
O5 O2- 4 a 0. 0. 0.8232 0.5 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sm3+ 3.000
Co2+ 2.000
O2- -2.000
