data_global _amcsd_formula_title 'BeF2' loop_ _publ_author_name 'Ghalsasi P' 'Ghalsasi P S' _journal_name_full 'Inorganic Chemistry' _journal_volume 50 _journal_year 2010 _journal_page_first 86 _journal_page_last 89 _publ_section_title ; Single crystal X-ray structure of BeF2: alpha-quartz ; _database_code_amcsd 0018307 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Be F2' _cell_length_a 4.7390 _cell_length_b 4.7390 _cell_length_c 5.1875 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 100.893 _exptl_crystal_density_diffrn 2.321 _symmetry_space_group_name_H-M 'P 31 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '-y,x-y,1/3+z' '-x,-x+y,1/3-z' '-x+y,-x,2/3+z' 'x-y,-y,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Be 0.47000 0.00000 0.33333 0.01700 F 0.41640 0.26710 0.21310 0.02600 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Be 0.01800 0.01600 0.01700 0.00800 0.00100 0.00100 F 0.03200 0.02400 0.02800 0.01800 0.00600 0.00900