#------------------------------------------------------------------------------ #$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $ #$Revision: 1210 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9010296.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9010296 loop_ _publ_author_name 'Brigatti, M. F.' 'Mottana, A.' 'Malferrari, D.' 'Cibin, G.' _publ_section_title ; Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas Locality: Sawtooth Mountains, Boise county, Idaho, USA Sample: Boise ; _journal_name_full 'American Mineralogist' _journal_page_first 1395 _journal_page_last 1400 _journal_volume 92 _journal_year 2007 _chemical_formula_sum 'Al1.79 F1.88 Fe0.46 H0.12 K0.92 Li1.06 Mg0.03 Mn0.52 Na0.05 O10.12 Rb0.02 Si3.12 Ti0.02' _chemical_name_mineral Masutomilite _space_group_IT_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90 _cell_angle_beta 100.818 _cell_angle_gamma 90 _cell_length_a 5.2984 _cell_length_b 9.1461 _cell_length_c 10.0966 _cell_volume 480.583 _exptl_crystal_density_diffrn 3.012 _[local]_cod_chemical_formula_sum_orig 'Si3.12 Al1.79 Li1.06 Fe.46 Mn.52 Mg.03 Ti.02 K.92 Na.05 Rb.02 O10.12 (F1.88 H.12)' _cod_database_code 9010296 _amcsd_database_code AMCSD#0004417 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,z -x,y,-z 1/2-x,1/2+y,-z 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 SiT1 0.00800 0.01100 0.01400 0.00100 0.00200 0.00000 AlT1 0.00800 0.01100 0.01400 0.00100 0.00200 0.00000 SiT11 0.00800 0.01100 0.01300 0.00100 0.00100 0.00000 AlT11 0.00800 0.01100 0.01300 0.00100 0.00100 0.00000 LiM1 0.01200 0.01000 0.01400 0.00000 0.00400 0.00000 FeM1 0.01200 0.01000 0.01400 0.00000 0.00400 0.00000 MnM1 0.01200 0.01000 0.01400 0.00000 0.00400 0.00000 MgM1 0.01200 0.01000 0.01400 0.00000 0.00400 0.00000 AlM2 0.00800 0.01000 0.00800 0.00000 0.00100 0.00000 LiM2 0.00800 0.01000 0.00800 0.00000 0.00100 0.00000 TiM2 0.00800 0.01000 0.00800 0.00000 0.00100 0.00000 MgM2 0.00800 0.01000 0.00800 0.00000 0.00100 0.00000 LiM3 0.00800 0.01500 0.01600 0.00000 0.00000 0.00000 FeM3 0.00800 0.01500 0.01600 0.00000 0.00000 0.00000 MnM3 0.00800 0.01500 0.01600 0.00000 0.00000 0.00000 KA 0.02600 0.03000 0.03000 0.00000 0.00300 0.00000 NaA 0.02600 0.03000 0.03000 0.00000 0.00300 0.00000 RbA 0.02600 0.03000 0.03000 0.00000 0.00300 0.00000 O1 0.02700 0.02000 0.02000 -0.00200 0.00100 -0.00100 O2 0.01700 0.02700 0.01900 -0.00600 0.00500 -0.00100 O22 0.01900 0.02600 0.01700 0.00600 0.00300 0.00100 O3 0.01100 0.01300 0.01200 0.00200 0.00400 0.00100 O33 0.01000 0.01400 0.01800 0.00200 0.00100 0.00000 OH4 0.01500 0.01700 0.01500 -0.00200 0.00200 0.00300 F4 0.01500 0.01700 0.01500 -0.00200 0.00200 0.00300 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 SiT1 0.07450 0.16990 0.22750 0.78000 0.01100 AlT1 0.07450 0.16990 0.22750 0.22000 0.01100 SiT11 0.58520 0.33280 0.22730 0.78000 0.01100 AlT11 0.58520 0.33280 0.22730 0.22000 0.01100 LiM1 0.00000 0.99210 0.50000 0.51000 0.01200 FeM1 0.00000 0.99210 0.50000 0.22000 0.01200 MnM1 0.00000 0.99210 0.50000 0.26000 0.01200 MgM1 0.00000 0.99210 0.50000 0.01000 0.01200 AlM2 0.00000 0.32310 0.50000 0.91000 0.00900 LiM2 0.00000 0.32310 0.50000 0.05000 0.00900 TiM2 0.00000 0.32310 0.50000 0.02000 0.00900 MgM2 0.00000 0.32310 0.50000 0.02000 0.00900 LiM3 0.50000 0.16150 0.50000 0.50000 0.01300 FeM3 0.50000 0.16150 0.50000 0.24000 0.01300 MnM3 0.50000 0.16150 0.50000 0.26000 0.01300 KA 0.00000 0.50290 0.00000 0.92000 0.02900 NaA 0.00000 0.50290 0.00000 0.05000 0.02900 RbA 0.00000 0.50290 0.00000 0.02000 0.02900 O1 0.03590 1.00250 0.17180 1.00000 0.02300 O2 0.32220 0.23980 0.17240 1.00000 0.02100 O22 0.81490 0.26160 0.15940 1.00000 0.02100 O3 0.11430 0.17540 0.39240 1.00000 0.01200 O33 0.66410 0.32720 0.39210 1.00000 0.01400 O-H4 0.10920 0.47180 0.39780 0.06000 0.01600 F4 0.10920 0.47180 0.39780 0.94000 0.01600