#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009489.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_9009489 _space_group_IT_number 160 _symmetry_space_group_name_Hall 'R 3 -2"' _symmetry_space_group_name_H-M 'R 3 m :H' _[local]_cod_cif_authors_sg_H-M 'R 3 m' loop_ _publ_author_name 'Hughes J M' 'Yunxiang N' _publ_section_title ; A high-precision crystal structure refinement of daqingshanite-(Ce) from Nkombwa Hill carbonatite, Zambia Locality: Nkombwa Hill carbonatite, Zambia ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 493 _journal_page_last 496 _journal_volume 58 _journal_year 1994 _chemical_formula_sum 'Sr3 Ce P C3 O13' _chemical_name_mineral Daqingshanite-(Ce) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 10.073 _cell_length_b 10.073 _cell_length_c 9.234 _cell_volume 811.406 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 x,x-y,z 2/3+x,1/3+x-y,1/3+z 1/3+x,2/3+x-y,2/3+z -y,-x,z 2/3-y,1/3-x,1/3+z 1/3-y,2/3-x,2/3+z -x+y,y,z 2/3-x+y,1/3+y,1/3+z 1/3-x+y,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 Sr 0.48294 -0.48294 0.04310 0.01136 Ce 0.00000 0.00000 0.00000 0.01070 P 0.33333 0.66667 0.24480 0.01646 C 0.33070 0.16535 0.23250 0.01520 O1 0.33333 0.66667 0.40700 0.06079 O2 0.25030 0.50060 0.18970 0.02280 O3 0.19000 0.09500 0.20710 0.01773 O4 0.40460 0.09380 0.25210 0.02191