#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/35/1533552.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_1533552 loop_ _publ_author_name 'Awana, V.P.S.' 'Takayama-Muromachi, E.' 'Malik, S.K.' 'Yelon, W.B.' 'Karppinen, M.' 'Krishnamurty, V.V.' 'Yamauchi, H.' _publ_section_title ; Cation intermixing and ordering phenomenon in M-O layer of M Sr2 Y Cu2 Oz (M-1212) compounds with M = Fe, Co, Al and Ga: a neutron powder diffraction study ; _journal_name_full 'Journal of Applied Physics' _journal_page_first 8221 _journal_page_last 8223 _journal_volume 93 _journal_year 2003 _chemical_formula_sum 'Al Cu2 O7.053 Sr2 Y' _chemical_name_systematic 'Al Sr2 Y Cu2 O7.053' _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 22.1998 _cell_length_b 5.4649 _cell_length_c 5.46338 _cell_volume 662.816 _citation_journal_id_ASTM JAPIAU _cod_data_source_file Awana_JAPIAU_2003_671.cif _cod_data_source_block Al1Cu2O7.053Sr2Y1 _cod_original_cell_volume 662.8156 _cod_original_formula_sum 'Al1 Cu2 O7.053 Sr2 Y1' _cod_database_code 1533552 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 O4 O-2 0.321 0.49 0.033 1 0.0 Sr1 Sr+2 0.345 0.004 0.023 1 0.0 O2 O-2 0.432 0.74 0.256 1 0.0 Y1 Y+3 0 0 0 1 0.0 Cu1 Cu+2 0.424 0.006 0.506 1 0.0 Al1 Al+3 0.25 0.5 0 1 0.0 O1 O-2 0.25 0.25 0.25 1.053 0.0 O3 O-2 0.431 0.246 0.767 1 0.0