#------------------------------------------------------------------------------
#$Date: 2016-11-02 07:05:40 +0100 (Wed 02 de Nov de 2016) $
#$Revision: 187766 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/44/1544453.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_1544453
loop_
_publ_author_name
'Imanaka, N.'
'Shimizu, T.'
'Saito, F.'
'Kobayashi, Y.'
'Adachi, G.'
'Liu, G.'
'Greedan, Edward, J.'
_publ_section_title
;
 Structure and magnetic properties of quasi-one dimensional cobalt-doped
 scandium cuprate compounds
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              330
_journal_page_last               334
_journal_volume                  103
_journal_year                    1995
_chemical_formula_sum            'Co0.4 Cu1.6 O5 Sc2'
_chemical_name_common            Sc2Cu1.6Co0.4O5
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.427(2)
_cell_length_b                   3.2112(5)
_cell_length_c                   12.069(2)
_cell_volume                     404.11(12)
_cod_data_source_file            Sc2Cu1.6Co0.4O5.cif
_cod_data_source_block           Sc2Cu1.6Co0.4O5
_cod_original_formula_sum        'Sc2 Cu1.6 Co0.4 O5'
_cod_database_code               1544453
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'
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_B_iso_or_equiv
_atom_site_type_symbol
Sc1 1.0 0.2170(10) 0.223(4) 0.000000 Biso 0.600000 Sc
Sc2 1.0 0.0410(10) 0.225(3) 0.3318(7) Biso 0.400000 Sc
CuCo1 0.8000 0.992(3) 0.666(8) 0.109(3) Biso 0.200000 Cu
CuCo1 0.2000 0.992(3) 0.666(8) 0.109(3) Biso 0.200000 Co
CuCo2 0.8000 0.254(3) 0.672(7) 0.219(3) Biso 0.900000 Cu
CuCo2 0.2000 0.254(3) 0.672(7) 0.219(3) Biso 0.900000 Co
O1 1.0 0.170(2) 0.727(2) 0.357(2) Biso 0.200000 O
O2 1.0 0.327(2) 0.720(8) 0.068(3) Biso 0.200000 O
O3 1.0 0.124(5) 0.282(7) 0.172(3) Biso 0.200000 O
O4 1.0 0.437(3) 0.769(9) 0.268(3) Biso 0.200000 O
O5 1.0 0.415(3) 0.253(8) 0.459(2) Biso 0.200000 O
