#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/14/2101404.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # 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_2101404 loop_ _publ_author_name 'Boucher, F.' 'Evain, M.' 'Brec, R.' _publ_section_title ; Phase transition upon d^10^ Cd^2+^ ordering in CdPS~3~ ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 952 _journal_page_last 961 _journal_paper_doi 10.1107/S0108768195004824 _journal_volume 51 _journal_year 1995 _chemical_formula_sum 'Cd P S3' _chemical_formula_weight 239.6 _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall ' R 3' _symmetry_space_group_name_H-M 'R 3 :H' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_formula_units_Z 6 _cell_length_a 6.224(3) _cell_length_b 6.224(3) _cell_length_c 19.490(10) _cell_volume 654.0(10) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 6.531 _exptl_crystal_density_diffrn 3.649 _cod_data_source_file du0398.cif _cod_original_sg_symbol_H-M 'R 3 {hexagonal axes}' _cod_original_formula_sum 'Cd1 P1 S3' _cod_database_code 2101404 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cd1 .0 .0 .32910(10) Cd2 .3333 .6667 .33798(5) P1 .6667 .3333 .39000(10) P2 .6667 .3333 .27570(10) S1 .3450(3) .3214(3) .4201(2) S2 -.0168(3) .3422(3) .2471(2)