#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009363.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_9009363 _chemical_name 'Cobaltomenite' loop_ _publ_author_name 'Wildner M' _journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte" _journal_volume 1990 _journal_year 1990 _journal_page_first 353 _journal_page_last 362 _publ_section_title ; Crystal structure refinements of synthetic cobaltomenite (CoSeO3*2H2O) and ahlfeldite (NiSeO3*2H2O) ; _chemical_formula_sum 'Co Se O5 H4' _cell_length_a 6.496 _cell_length_b 8.809 _cell_length_c 7.619 _cell_angle_alpha 90 _cell_angle_beta 98.87 _cell_angle_gamma 90 _cell_volume 430.770 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Co 0.34882 0.63789 0.51736 0.01570 Se 0.60353 0.15328 0.83756 0.01470 O1 0.67520 0.32580 0.76570 0.01940 O2 0.67290 0.59310 0.53270 0.01890 O3 0.46070 0.20080 0.99700 0.02040 Ow1 0.38390 0.56370 0.79510 0.02250 Ow2 0.41850 0.85970 0.57840 0.02470 H11 0.48600 0.49700 0.81200 0.03780 H12 0.44300 0.64000 0.87700 0.03480 H21 0.34800 0.91000 0.60100 0.02720 H22 0.55100 0.87100 0.63200 0.05830