#------------------------------------------------------------------------------ #$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $ #$Revision: 201816 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015925.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_9015925 loop_ _publ_author_name 'Tahara, T.' 'Nakai, I.' 'Miyawaki, R.' 'Matsubara, S.' _publ_section_title ; Crystal chemistry of RE(CO3)OH ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 326 _journal_page_last 334 _journal_volume 222 _journal_year 2007 _chemical_compound_source Synthetic _chemical_formula_sum 'C H O4 Yb' _space_group_IT_number 137 _symmetry_space_group_name_Hall '-P 4ac 2a' _symmetry_space_group_name_H-M 'P 42/n m c :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 9.3771 _cell_length_b 9.3771 _cell_length_c 7.7117 _cell_volume 678.090 _database_code_amcsd 0019390 _exptl_crystal_density_diffrn 4.899 _cod_original_sg_symbol_H-M 'P 42/n m c' _cod_original_formula_sum 'Yb C (O4 H)' _cod_database_code 9015925 _amcsd_formula_title Yb(CO3)OH loop_ _space_group_symop_operation_xyz x,y,z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2-z 1/2+y,-x,1/2-z 1/2-y,x,1/2+z x,1/2-y,z -x,1/2+y,-z 1/2+x,1/2+y,-z 1/2-x,1/2-y,z y,x,1/2+z -y,-x,1/2-z -y,1/2+x,1/2-z y,1/2-x,1/2+z 1/2-x,y,z 1/2+x,-y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Yb 0.47311 0.52689 0.25000 0.00600 C 0.49760 0.25000 0.09950 0.00720 O-H1 0.25000 0.51350 0.16740 0.01610 O2 0.48660 0.25000 0.26510 0.01510 O3 0.49490 0.63090 -0.01910 0.01100 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0019390