#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9002501.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_9002501 loop_ _publ_author_name 'Subbotin V V' 'Merlino S' 'Pushcharovsky D Y' 'Pakhomovsky Y A' 'Ferro O' 'Bogdanova A N' 'Voloshin A V' 'Sorokhtina N V' 'Zubkova N V' _publ_section_title ; Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia ; _journal_name_full 'American Mineralogist' _journal_page_first 1516 _journal_page_last 1520 _journal_volume 85 _journal_year 2000 _chemical_formula_sum 'H4 Na2 O13 Si4 Sn0.2 Zr0.8' _[local]_cod_chemical_formula_sum_orig '(Zr.8 Sn.2) Si4 Na2 O13 H4' _chemical_name_mineral Tumchaite _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 113.22 _cell_angle_gamma 90 _cell_length_a 9.144 _cell_length_b 8.818 _cell_length_c 7.537 _cell_volume 558.495 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,1/2+z -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_occupancy _atom_site_U_iso_or_equiv Zr 0.00000 0.50000 0.00000 0.80000 0.00760 Sn 0.00000 0.50000 0.00000 0.20000 0.00760 Si1 0.16690 0.15820 0.19930 1.00000 0.00930 Si2 0.31760 0.44210 0.41240 1.00000 0.00930 Na 0.20510 0.68840 0.71090 1.00000 0.02430 O1 0.31480 0.26590 0.34540 1.00000 0.01290 O2 0.11640 0.03460 0.31870 1.00000 0.01260 O3 0.02600 0.26760 0.06600 1.00000 0.01310 O4 0.24710 0.05430 0.07910 1.00000 0.01310 O5 0.21450 0.54250 0.22990 1.00000 0.01200 O6 0.50000 0.00000 0.00000 1.00000 0.01570 OW 0.37090 0.69210 0.03710 1.00000 0.03170 H1 0.49800 0.68400 0.07500 1.00000 0.05000 H2 0.35200 0.60200 0.09000 1.00000 0.05000