#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000583.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_2000583 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1992 _journal_volume 48 _journal_page_first 1571 _journal_page_last 1574 loop_ _publ_author_name 'Stahl, K.' 'Szafranski, M.' _chemical_formula_sum 'D1 I1 O3' _chemical_formula_weight 176.91 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_space_group_name_Hall 'P 2ac 2ab' _cell_length_a 5.5408(4) _cell_length_b 5.8745(4) _cell_length_c 7.7356(5) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 251.79(5) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 4.67 _exptl_crystal_density_meas ? _exptl_crystal_F_000 ? _exptl_absorpt_coefficient_mu 0.006 _diffrn_radiation_type Neutron _diffrn_radiation_wavelength 1.4700(10) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z I .2042(10) -.0902(9) .1574(7) O(1) -.0686(9) .0234(7) .2565(9) O(2) .3385(8) .1927(9) .0834(6) O(3) .0997(9) -.1599(8) -.0534(6) D .2361(10) .3175(8) .1349(7)