#------------------------------------------------------------------------------ #$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000343.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_2000343 loop_ _publ_author_name 'Gravereau, P.' 'Boireau, A.' 'Dance, J. M.' 'Trut, L.' 'Tressaud, A.' _publ_section_title ; Structure of the cobalt weberite Na~2~CoAlF~7~ ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 2108 _journal_page_last 2111 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'Al Co F7 Na2' _[local]_cod_chemical_formula_sum_orig 'Al1 Co1 F7 Na2' _chemical_formula_weight 264.88 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 99.670(2) _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 12.3777(4) _cell_length_b 7.2100(3) _cell_length_c 24.0192(9) _cell_volume 2113.10(10) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.7107 _exptl_absorpt_coefficient_mu 3.645 _exptl_crystal_density_diffrn 3.33 _exptl_crystal_F_000 2000 _[local]_cod_data_source_file du0332.cif _[local]_cod_data_source_block du0332a loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na(1) .0 .0 .0 Na(2) .0 .5 .0 Na(3) .25 .25 .0 Na(4) .0 .2853(2) .25 Na(5) .24690(10) .0456(2) .24761(4) Na(6) .37320(10) .0089(2) .12145(5) Co(1) .12240(3) .01138(4) .372390(10) Co(2) .37334(3) .26382(4) .37400(2) Al(1) .25 .25 .5 Al(2) .5 .25220(10) .25 Al(3) .12640(10) .26510(10) .12584(4) F(11) .16800(10) .0930(2) .45300(10) F(12) .35030(10) .2767(2) .45460(10) F(13) .17230(10) .4493(2) .46870(10) F(21) .42250(10) .0751(2) .20930(10) F(22) .39490(10) .2580(2) .29330(10) F(23) .42420(10) .4372(2) .20920(10) F(31) .26180(10) .3155(2) .11260(10) F(32) .00830(10) .2118(2) .35990(10) F(33) .17380(10) .0305(2) .14010(10) F(34) .08770(10) .2210(2) .05110(10) F(35) .07830(10) .4985(2) .11150(10) F(36) .16520(10) .3109(2) .20080(10) F(4) .47040(10) .3255(2) .09480(10) F(5) .21730(10) .1996(2) .34180(10)