#------------------------------------------------------------------------------ #$Date: 2014-10-25 20:23:10 +0300 (Sat, 25 Oct 2014) $ #$Revision: 125873 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/83/2008330.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2008330 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1999 _journal_volume 55 _journal_page_first 479 _journal_page_last 481 _journal_coeditor_code BR1230 _publ_section_title ; Gd~3~GaO~6~ by X-ray powder diffraction ; loop_ _publ_author_name 'Yamane, Hisanori' 'Sakamoto, Takashi' 'Kubota, Shun-ichi' 'Shimada, Masahiko' _chemical_name_common 'gadolinium gallium oxide' _chemical_formula_sum 'Ga Gd3 O6' _[local]_cod_chemical_formula_sum_orig 'Gd3 Ga O6' _chemical_formula_structural 'Gd~3~(GaO~4~)O~2~' _chemical_formula_iupac 'Gd3 Ga O6' _chemical_formula_weight 637.47 _symmetry_cell_setting 'orthorhombic' _symmetry_space_group_name_H-M 'C m c 21' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, 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+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, z' _cell_length_a 8.99280(10) _cell_length_b 11.2809(2) _cell_length_c 5.48116(9) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 556.05(2) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 7.615 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy Gd1 0.19320(14) 0.10615(14) 0.44679(9) 0.0008(4) 1.0 Gd2 0 0.3958(2) 0.4029(9) 0.0008 1.0 Ga 0 0.1947(4) 0 0.0003(13) 1.0 O1 0.155(2) 0.2512(14) 0.183(3) 0.004(3) 1.0 O2 0.338(2) 0.013(2) 0.219(5) 0.004 1.0 O3 0 0.049(2) 0.167(5) 0.004 1.0 O4 0 0.202(2) 0.661(4) 0.004 1.0 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Gd1 O2 . . 2.08(2) yes Gd1 O1 . . 2.21(2) yes Gd1 O4 . . 2.36(2) yes Gd1 O2 . 3_555 2.39(2) yes Gd1 O3 . . 2.41(2) yes Gd1 O1 . 6_555 2.48(2) yes Gd1 O3 . 2_555 2.74(2) yes Gd2 O2 . 8_555 2.21(2) yes Gd2 O2 . 5_455 2.21(2) yes Gd2 O1 . . 2.46(2) yes Gd2 O1 . 4_555 2.46(2) yes Gd2 O2 . 6_555 2.49(2) yes Gd2 O2 . 7_455 2.49(2) yes Gd2 O4 . . 2.60(2) yes Ga O1 . . 1.83(2) yes Ga O1 . 4_555 1.83(2) yes Ga O4 . 1_554 1.86(2) yes Ga O3 . . 1.89(2) yes _cod_database_code 2008330 _journal_issue 4 _journal_paper_doi 10.1107/S0108270198016096