#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/07/1520797.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_1520797 loop_ _publ_author_name 'Ayres de Campos, J.' 'Ferreira, L.P.' 'Mendes, P.J.' 'Fruchart, D.' 'Gil, J.M.' 'Ferreira, I.C.' 'Ayres de Campos, N.' 'Bacmann, M.' 'Soubeyroux, J.L.' 'Godinho, M.' _publ_section_title ; Study of R Fe9.5 Mo2.5 H (R = Y, Dy, Ho, Er) and R Fe9.5 Mo2.5 N (R= Y, Dy) compounds by Mossbauer spectroscopy, magnetisation and neutron powder diffraction ; _journal_name_full 'Journal of Magnetism and Magnetic Materials' _journal_page_first 293 _journal_page_last 303 _journal_volume 213 _journal_year 2000 _chemical_formula_sum 'Fe9.6 H0.93 Mo2.4 Y' _chemical_name_systematic 'Y Fe9.6 Mo2.4 H0.93' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.593 _cell_length_b 8.593 _cell_length_c 4.815 _cell_volume 355.538 _citation_journal_id_ASTM JMMMDC _cod_data_source_file AyresdeCampos_JMMMDC_2000_1562.cif _cod_data_source_block H0.93Fe9.6Mo2.4Y1 _cod_original_cell_volume 355.5379 _cod_original_formula_sum 'H0.93 Fe9.6 Mo2.4 Y1' _cod_database_code 1520797 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 Mo1 Mo 0.3598 0 0 0.6 0.0 Y1 Y 0 0 0 1 0.0 H1 H 0 0 0.5 0.93 0.0 Fe3 Fe 0.2794 0.5 0 1 0.0 Fe2 Fe 0.3598 0 0 0.4 0.0 Fe1 Fe 0.25 0.25 0.25 1 0.0