#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9005220.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_9005220 _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _[local]_cod_cif_authors_sg_H-M 'R -3' loop_ _publ_author_name 'Olmi F' 'Sabelli C' _publ_section_title ; Brizzite, NaSbO3, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure Locality: Cetine mine, Tuscany, Italy ; _journal_name_full 'European Journal of Mineralogy' _journal_page_first 667 _journal_page_last 672 _journal_volume 6 _journal_year 1994 _chemical_formula_sum 'Na O3 Sb' _[local]_cod_chemical_formula_sum_orig 'Na Sb O3' _chemical_name_mineral Brizziite _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 5.301 _cell_length_b 5.301 _cell_length_c 15.932 _cell_volume 387.719 loop_ _symmetry_equiv_pos_as_xyz x,y,z 2/3+x,1/3+y,1/3+z 1/3+x,2/3+y,2/3+z y,-x+y,-z 2/3+y,1/3-x+y,1/3-z 1/3+y,2/3-x+y,2/3-z -x+y,-x,z 2/3-x+y,1/3-x,1/3+z 1/3-x+y,2/3-x,2/3+z -x,-y,-z 2/3-x,1/3-y,1/3-z 1/3-x,2/3-y,2/3-z -y,x-y,z 2/3-y,1/3+x-y,1/3+z 1/3-y,2/3+x-y,2/3+z x-y,x,-z 2/3+x-y,1/3+x,1/3-z 1/3+x-y,2/3+x,2/3-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.00000 0.00000 0.63910 0.01456 Sb 0.00000 0.00000 0.83904 0.00494 O 0.04610 0.32360 0.76380 0.00709 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na 0.01431 0.01431 0.01543 0.00715 0.00000 0.00000 Sb 0.00363 0.00363 0.00772 0.00182 0.00000 0.00000 O 0.00833 0.00662 0.00514 0.00310 -0.00148 -0.00037