#------------------------------------------------------------------------------ #$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $ #$Revision: 291877 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/29/9012909.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_9012909 loop_ _publ_author_name 'Vindryevsky, B. A.' 'Ishmaev, S. N.' 'Sadikov, I. P.' 'Chernyshev, A. A.' _publ_section_title ; Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .028 GPa, T = 14.9 K ; _journal_name_full 'Physics Letters' _journal_page_first 355 _journal_page_last 358 _journal_paper_doi 10.1016/0375-9601(80)90518-6 _journal_volume 76A _journal_year 1980 _chemical_compound_source Synthetic _chemical_formula_sum H _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 3.670 _cell_length_b 3.670 _cell_length_c 5.971 _cell_formula_units_Z 2 _cell_volume 69.648 _database_code_amcsd 0015294 _diffrn_ambient_pressure 28000 _diffrn_ambient_temperature 14.9 _exptl_crystal_density_diffrn 0.048 _cod_database_code 9012909 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 0.25000 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 4515072 2 AMCSD 0015294