#------------------------------------------------------------------------------ #$Date: 2017-10-14 23:18:49 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202019 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/24/9012471.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_9012471 loop_ _publ_author_name 'Meyer, L.' 'Barrett, C. S.' 'Greer, S. C.' _publ_section_title ; Crystal structure of alpha-fluorine Locality: synthetic Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K ; _journal_name_full 'Journal of Chemical Physics' _journal_page_first 1902 _journal_page_last 1907 _journal_paper_doi 10.1063/1.1670323 _journal_volume 49 _journal_year 1968 _chemical_formula_sum F2 _chemical_name_mineral Fluorine _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 134.66 _cell_angle_gamma 90 _cell_length_a 5.50 _cell_length_b 3.28 _cell_length_c 10.01 _cell_volume 128.445 _diffrn_ambient_temperature 23 _exptl_crystal_density_diffrn 1.965 _cod_database_code 9012471 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 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv F1 0.15000 0.00000 0.09960 0.07599 F2 0.10500 0.00000 0.60000 0.07599 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 22932