#------------------------------------------------------------------------------ #$Date: 2023-03-26 10:30:59 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282067 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/30/9013092.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_9013092 loop_ _publ_author_name 'Ishmaev, S. N.' 'Sadikov, I. P.' 'Chernyshev, A. A.' 'Vindryevsky, B. A.' 'Sukhoparov, V. A.' 'Telepnev, A. S.' 'Kobelyev, G. V.' _publ_section_title ; Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = 2.40 GPa & T = 25.5 K Note: known as para-hydrogen ; _journal_name_full 'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki' _journal_page_first 394 _journal_page_last 403 _journal_volume 84 _journal_year 1983 _chemical_compound_source Synthetic _chemical_formula_sum H2 _chemical_name_common Hydrogen _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 2.850 _cell_length_b 2.850 _cell_length_c 4.640 _cell_volume 32.639 _database_code_amcsd 0015893 _diffrn_ambient_pressure 2.4e+06 _diffrn_ambient_temperature 25.5 _exptl_crystal_density_diffrn 0.205 _cod_database_code 9013092 loop_ _space_group_symop_operation_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 0.12300 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 762 2 AMCSD 0015893