#------------------------------------------------------------------------------ #$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2003109.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2003109 _journal_name_full 'Acta Crystallographica, Section B' _journal_year 1999 _journal_volume B55 _journal_page_first 35 _journal_page_last 44 ; Robert E. Dinnebier ; _chemical_formula_sum 'C10 H15 Li' _chemical_formula_weight 142.17 _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M 'R 3 m' _symmetry_space_group_name_Hall 'R 3 -2"' _cell_length_a 14.7711(5) _cell_length_b 14.7711(5) _cell_length_c 3.82206(6) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 722.19(4) _cell_formula_units_Z 3 _cell_measurement_temperature 293 _exptl_crystal_density_diffrn 0.980 _exptl_crystal_density_meas ? _exptl_absorpt_coefficient_mu ? _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.84979 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy Li 0.6666 0.3333 0.5 0.060 1 C11 0.714 0.427 0 0.062(2) 0.3333 C12 0.758 0.362 0 0.062(2) 0.1666 C13 0.677 0.258 0 0.062(2) 0.1666 C21 0.774 0.547 0 0.046(3) 0.3333 C22 0.876 0.400 0 0.046(3) 0.1666 C23 0.689 0.160 0 0.046(3) 0.1666