#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2000298.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_2000298 _journal_name_full 'Acta Cryst. C' _journal_year 1991 _journal_volume 47 _journal_page_first 1133 _journal_page_last 1136 loop_ _publ_author_name 'Kellersohn, T.' _chemical_formula_sum 'K2 Na1 I1 O10 H10' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P-1' _symmetry_space_group_name_Hall ? _cell_length_a 6.7201(5) _cell_length_b 7.3601(4) _cell_length_c 10.7671(6) _cell_angle_alpha 97.607(5) _cell_angle_beta 108.002(5) _cell_angle_gamma 93.935(6) _cell_volume 498.62 _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 2.652 _exptl_crystal_density_meas ? _exptl_crystal_F_000 384 _exptl_absorpt_coefficient_mu 4.0838 _diffrn_radiation_type mo _diffrn_radiation_wavelength 0.71073 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv I .139270(10) .181590(10) .246710(10) .9430(10) K1 .37746(8) .65452(6) .37756(4) 2.393(7) K2 .43226(6) .68775(6) .85359(4) 2.159(6) Na .22080(11) .18658(10) .76637(7) 1.790(10) O1 -.1460(2) .0718(2) .13350(10) 1.50(2) O2 .1386(2) -.0470(2) .32570(10) 1.47(2) O3 .0005(2) .2778(2) .36060(10) 1.60(2) O4 .2402(2) .0531(2) .12500(10) 1.45(2) O5 .1227(2) .3865(2) .16520(10) 1.83(2) O6 .4019(2) .2650(2) .36400(10) 1.56(2) O7 .4129(2) .7421(2) .1376(2) 2.16(2) O8 .1871(3) .4074(2) .62410(10) 2.42(3) O9 .2919(2) .9638(2) .59920(10) 2.01(2) O10 .1861(2) .4169(2) .93320(10) 2.19(2) H11 -.142(5) .026(5) .053(3) 2.5 H21 .191(5) -.003(5) .405(3) 2.5 H71 .357(5) .834(5) .135(3) 2.5 H72 .346(5) .663(5) .098(3) 2.5 H81 .122(5) .494(5) .624(3) 2.5 H82 .144(5) .360(5) .542(3) 2.5 H91 .396(5) .899(5) .614(3) 2.5 H92 .212(5) .897(5) .607(3) 2.5 H101 .076(5) .469(5) .888(3) 2.5 H102 .156(5) .377(5) .998(3) 2.5