#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/11/1531100.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_1531100
loop_
_publ_author_name
'Awana, V.P.S.'
'Malik, S.K.'
'Yelon, W.B.'
'Karppinen, M.'
'Yamauchi, H.'
_publ_section_title
;
 Triple perovskite Co Sr2 Y Cu2 O7-d and its peculiar structural features:
 a neutron diffraction study
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              155
_journal_page_last               159
_journal_volume                  378
_journal_year                    2002
_chemical_formula_sum            'Co Cu2 O7 Sr2 Y'
_chemical_name_systematic        'Co Sr2 Y Cu2 O7'
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I 2 -2a'
_symmetry_space_group_name_H-M   'I m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4089
_cell_length_b                   5.4515
_cell_length_c                   22.7987
_cell_volume                     672.257
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Awana_PHYCE6_2002_1217.cif
_cod_data_source_block           Co1Cu2O7Sr2Y1
_cod_original_cell_volume        672.2565
_cod_original_formula_sum        'Co1 Cu2 O7 Sr2 Y1'
_cod_database_code               1531100
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1,y+1/2,z+1/2
x+1,-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_occupancy
_atom_site_U_iso_or_equiv
Co1 Co+2 0.25 0.537 0.0667 1 0.0
O5 O-2 0.32413 0.4783 0.031 1 0.0
O3 O-2 0.4356 0.7422 0.2458 1 0.0
O1 O-2 0.25 0.6489 0.3547 0.34 0.0
O2 O-2 0.25 0.5906 0.5932 0.66 0.0
O4 O-2 0.43615 0.2424 0.7479 1 0.0
Cu1 Cu+2 0.42683 0.0053 0.4947 1 0.0
Y1 Y+3 0 0 0 1 0.0
Sr1 Sr+2 0.34818 0.0045 0.0041 1 0.0
