#------------------------------------------------------------------------------ #$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $ #$Revision: 200452 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010252.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_1010252 loop_ _publ_author_name 'West, C D' _publ_section_title ; The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides. ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 97 _journal_page_last 115 _journal_volume 88 _journal_year 1934 _chemical_formula_structural 'Rb S H' _chemical_formula_sum 'H Rb S' _chemical_name_systematic 'Rubidium hydrogensulfide' _space_group_IT_number 166 _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall '-P 3* 2' _symmetry_space_group_name_H-M 'R -3 m :R' _cell_angle_alpha 69.33 _cell_angle_beta 69.33 _cell_angle_gamma 69.33 _cell_formula_units_Z 1 _cell_length_a 4.53 _cell_length_b 4.53 _cell_length_c 4.53 _cell_volume 78.6 _cod_original_sg_symbol_H-M 'R -3 m R' _cod_database_code 1010252 _cod_depositor_comments ; Removing dummy H atoms since the hydrogen atoms they represent are already marked using the _atom_site_attached_hydrogens data item. Antanas Vaitkus, 2017-09-11 ; loop_ _symmetry_equiv_pos_as_xyz x,y,z y,x,z y,z,x x,z,y z,x,y z,y,x -x,-y,-z -y,-x,-z -y,-z,-x -x,-z,-y -z,-x,-y -z,-y,-x loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Rb1 Rb1+ 1 a 0. 0. 0. 1. 0 d S1 S2- 1 b 0.5 0.5 0.5 1. 1 d loop_ _atom_type_symbol _atom_type_oxidation_number Rb1+ 1.000 S2- -2.000