#------------------------------------------------------------------------------ #$Date: 2016-02-09 20:42:54 +0200 (Tue, 09 Feb 2016) $ #$Revision: 176292 $ #$URL: file:///home/coder/svn-repositories/cod/cif/6/00/07/6000710.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_6000710 loop_ _publ_author_name 'Corbel, G.' 'Suard, E.' 'Emery, J.' 'Leblanc, M.' _publ_section_title ; OH-F disorder in non-centrosymmetric Zn2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and nmr study; comparison with tridymite and fluoride borates ; _journal_name_full 'Journal of Alloys and Compounds' _journal_page_first 49 _journal_page_last 57 _journal_paper_doi 10.1016/S0925-8388(00)00713-1 _journal_volume 305 _journal_year 2000 _chemical_formula_sum 'B F0.25 H0.75 O3.75 Zn2' _space_group_name_H-M_alt 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 98.829 _cell_angle_gamma 90.000 _cell_length_a 6.8738 _cell_length_b 4.9178 _cell_length_c 5.7018 _cell_volume 190.46 _cod_database_code 6000710 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?