#------------------------------------------------------------------------------ #$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $ #$Revision: 26029 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2004987.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_2004987 _journal_name_full 'Acta Crystallographica C' _journal_volume 52 _journal_year 1996 _journal_page_first 1336 _journal_page_last 1338 _publ_section_title ; A Reinvestigation of \b-Gallium Oxide ; _chemical_formula_iupac '\b-Ga2 O3' _chemical_formula_moiety 'Ga2 O3' _chemical_formula_sum 'Ga2 O3' _chemical_formula_weight 187.44 _symmetry_cell_setting 'monoclinic' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _[local]_cod_cif_authors_sg_H-M 'C 2/m' loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' '1/2+x, 1/2+y,+z' ' +x, -y, +z' '1/2+x, 1/2-y,+z' ' -x, -y, -z' '1/2-x, 1/2-y,-z' ' -x, +y, -z' '1/2-x, 1/2+y,-z' _cell_length_a 12.214(3) _cell_length_b 3.0371(9) _cell_length_c 5.7981(9) _cell_angle_alpha 90 _cell_angle_beta 103.83(2) _cell_angle_gamma 90 _cell_volume 208.850(10) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 5.961 _cell_measurement_temperature 273.2 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ga1 .09050(2) .0000 .79460(5) .00380(10) Ga2 .15866(2) .5000 .31402(5) .00400(10) O1 .1645(2) .0000 .1098(3) .0060(4) O2 .1733(2) .0000 .5632(4) .0056(4) O3 -.0041(2) .5000 .2566(3) .0042(4) _cod_database_code 2004987