#------------------------------------------------------------------------------ #$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $ #$Revision: 903 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9011570.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9011570 loop_ _publ_author_name 'Mao, H. K.' 'Jephcoat, A. P.' 'Hemley, R. J.' 'Finger, L. W.' 'Zha, C. S.' 'Hazen, R. M.' 'Cox, D. E.' _publ_section_title ; Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Locality: synthetic Sample: at P = 26.5 GPa, T = 300 K ; _journal_name_full Science _journal_page_first 1131 _journal_page_last 1133 _journal_volume 239 _journal_year 1988 _chemical_formula_sum H _chemical_name_mineral Hydrogen _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 2.259 _cell_length_b 2.259 _cell_length_c 3.609 _cell_volume 15.950 _diffrn_ambient_pressure 2.65e+07 _diffrn_ambient_temperature 300 _[local]_cod_data_source_file 10881.cif _[local]_cod_data_source_block global loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-x+y,1/2+z x,x-y,1/2-z -x+y,-x,1/2-z x-y,x,1/2+z -y,-x,z y,x,-z y,-x+y,-z -y,x-y,z x-y,-y,1/2+z -x+y,y,1/2-z x,y,1/2-z -x,-y,1/2+z x,x-y,z -x,-x+y,-z x-y,x,-z -x+y,-x,z y,x,1/2+z -y,-x,1/2-z -y,x-y,1/2-z y,-x+y,1/2+z -x+y,y,z x-y,-y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z H 0.33333 0.66667 0.25000