#------------------------------------------------------------------------------ #$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2100026.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_2100026 _journal_name_full 'Acta Crystallographica, Section B' _journal_year 2005 _journal_volume 61 _journal_page_first 359 _journal_page_last 359 loop_ _publ_author_name 'Richard E. Marsh' _publ_section_title ; Space group P1: an update ; _chemical_formula_sum 'not given' _symmetry_space_group_name_H-M 'P -1' _space_group_crystal_system triclinic _cell_length_a 9.2090 _cell_length_b 10.1840 _cell_length_c 10.5030 _cell_angle_alpha 69.55 _cell_angle_beta 67.75 _cell_angle_gamma 77.23 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_type_symbol Ga1 0.42546 0.12351 0.56634 Ga O1 0.40835 -0.08135 0.60870 O B1 0.30935 -0.16655 0.72750 B C1 0.18460 -0.11370 0.85620 C H1 0.18870 -0.01305 0.83670 H C2 0.02020 -0.14050 0.87340 C H2 -0.04415 -0.14705 0.96520 H H3 -0.02045 -0.06535 0.81590 H C3 0.00470 -0.26045 0.84545 C H4 -0.05335 -0.23225 0.79495 H H5 -0.04630 -0.31085 0.92460 H C4 0.13500 -0.35005 0.77425 C H6 0.12950 -0.33680 0.68205 H H7 0.11740 -0.44500 0.82785 H C5 0.30260 -0.32670 0.75795 C H8 0.38035 -0.35860 0.67770 H C6 0.34065 -0.40885 0.89790 C H9 0.30530 -0.49955 0.93265 H H10 0.45155 -0.42270 0.87610 H C7 0.27510 -0.34760 1.01255 C H11 0.34680 -0.36770 1.05345 H H12 0.19460 -0.39150 1.07460 H C8 0.22625 -0.19805 0.99370 C H13 0.30405 -0.15710 0.99805 H H14 0.13690 -0.19170 1.07305 H C17 0.47370 -0.15265 0.30610 C C19 0.23720 0.24805 0.52040 C C21 0.59375 -0.17425 0.16935 C H29 0.65470 -0.09570 0.11965 H H30 0.54100 -0.18220 0.10975 H H31 0.66200 -0.25865 0.19140 H C22 0.36720 -0.02830 0.26150 C H32 0.42680 0.04955 0.20235 H H33 0.29185 -0.00570 0.34470 H H34 0.31405 -0.04855 0.20865 H C23 0.38270 -0.27250 0.37810 C H35 0.44610 -0.35500 0.41230 H H36 0.34395 -0.28550 0.31230 H H37 0.29775 -0.25480 0.45740 H C24 0.72835 -0.33775 0.61860 C H38 0.68255 -0.28565 0.68510 H H39 0.82155 -0.39130 0.63450 H H40 0.65735 -0.39865 0.63200 H C25 0.89730 -0.16530 0.44465 C H41 0.91835 -0.10365 0.34910 H H42 0.98980 -0.22840 0.45225 H H43 0.86895 -0.11155 0.51020 H C26 0.83930 -0.32815 0.38300 C H44 0.86405 -0.26645 0.28710 H H45 0.77315 -0.39265 0.39480 H H46 0.93280 -0.37835 0.40215 H