#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/14/7221404.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_7221404
loop_
_publ_author_name
'Alonso, J.A.'
'Pomjakushin, V.'
'Martinez-Lope, M.J.'
'de la Calle, C.'
_publ_section_title
;
 Preparation and structural study from neutron diffraction data of R Co O3
 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1555
_journal_page_last               1560
_journal_volume                  16
_journal_year                    2006
_chemical_formula_sum            'Co O3 Tm'
_chemical_name_systematic        'Tm Co O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1049
_cell_length_b                   5.4135
_cell_length_c                   7.3282
_cell_volume                     202.518
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Alonso_JMACEP_2006_899.cif
_cod_data_source_block           Co1O3Tm1
_cod_original_cell_volume        202.5175
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Co1 O3 Tm1'
_cod_database_code               7221404
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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_occupancy
_atom_site_U_iso_or_equiv
Tm1 Tm+3 0.9804 0.0722 0.25 1 0.0
Co1 Co+3 0.5 0 0 1 0.0
O1 O-2 0.1013 0.4707 0.25 1 0.0
O2 O-2 0.6913 0.3034 0.0502 1 0.0
