#------------------------------------------------------------------------------ #$Date: 2016-02-11 02:03:02 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176343 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/01/2000170.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_2000170 loop_ _publ_author_name 'Powell, D. R.' 'Gaines, D. F.' 'Zerella, P. J.' 'Smith, R. A.' _publ_section_title ; Refinement of the structure of tincalconite ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 2279 _journal_page_last 2282 _journal_paper_doi 10.1107/S0108270191006054 _journal_volume 47 _journal_year 1991 _chemical_formula_moiety 'Na2,H4 B4 O9,2.70(H2 O1)' _chemical_formula_sum 'B4 H9.4 Na2 O11.7' _chemical_formula_weight 285.9 _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall 'R 3 2"' _symmetry_space_group_name_H-M 'R 3 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120. _cell_formula_units_Z 9 _cell_length_a 11.097(2) _cell_length_b 11.097(2) _cell_length_c 21.114(4) _cell_volume 2251.7(7) _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.54184 _exptl_absorpt_coefficient_mu 2.360 _exptl_crystal_density_diffrn 1.898 _exptl_crystal_F_000 1305.1 _cod_data_source_file st0510.cif _cod_data_source_block st0510a _cod_depositor_comments ; Adding _atom_site_type_symbol label and values. Antanas Vaitkus 2013-04-08 -------------------------------------------------------------------------------- Packing looks strange in this structure; maybe alternative sites are mislabeled or symmetry information is wrong. Saulius Gra\