#------------------------------------------------------------------------------ #$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $ #$Revision: 77877 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/29/9012911.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_9012911 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 Locality: synthetic Sample: P = .14 GPa, T = 17.3 K ; _journal_name_full 'Physics Letters' _journal_page_first 355 _journal_page_last 358 _journal_volume 76A _journal_year 1980 _chemical_formula_sum H _chemical_name_common 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 3.444 _cell_length_b 3.444 _cell_length_c 5.603 _cell_volume 57.554 _diffrn_ambient_pressure 1.4e+05 _diffrn_ambient_temperature 17.3 _exptl_crystal_density_diffrn 0.058 _cod_database_code 9012911 _amcsd_database_code AMCSD#0013835 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