#------------------------------------------------------------------------------ #$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/06/2000655.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_2000655 loop_ _publ_author_name 'Waizumi, K.' 'Masuda, H.' 'Ohtaki, H.' 'Burkov, K. A.' 'Chernykh, L.' _publ_section_title ; Structure of 2RbCl.CuCl~2~.2H~2~O ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1374 _journal_page_last 1376 _journal_paper_doi 10.1107/S0108270192000180 _journal_volume 48 _journal_year 1992 _chemical_formula_moiety 'Cl4 Cu1 Rb2,2(H2 O1)' _chemical_formula_sum 'Cl4 Cu H4 O2 Rb2' _chemical_formula_weight 412.32 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.596(2) _cell_length_b 7.596(2) _cell_length_c 8.027(3) _cell_volume 463.2(2) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 13.63 _exptl_crystal_density_diffrn 2.957 _exptl_crystal_F_000 382 _cod_data_source_file as0559.cif _cod_data_source_block as0559a _cod_original_cell_volume 463.1(2) _cod_original_formula_sum 'H4 Cl4 Cu1 O2 Rb2' _cod_database_code 2000655 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Rb .0 .5 .25 Cu .0 .0 .0 Cl(1) .7207(4) -.7207(4) .0 Cl(2) .2101(4) .2101(4) .0 O .0 .0 .2454(9) H .070(2) .070(2) .31(2)