#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012886.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_9012886 loop_ _publ_author_name 'Tomita, K.' 'Shiraki, K.' 'Kawano, M.' _publ_section_title ; Crystal structure of dehydroxylated 2M1 sericite and its relationship with mixed-layer mica/smectite Sample: heated ; _journal_name_full 'Clay Science' _journal_page_first 423 _journal_page_last 441 _journal_volume 10 _journal_year 1998 _chemical_compound_source 'Goto mine, Nagasaki Prefecture, Japan' _chemical_formula_sum 'Al2.726 Ca0.011 Fe0.03 K0.776 Mg0.02 Na0.181 O11 Si3.15 Ti0.02' _chemical_name_mineral Muscovite _space_group_crystal_system triclinic _space_group_IT_number 1 _space_group_name_Hall 'C 1' _space_group_name_H-M_alt 'C 1' _symmetry_space_group_name_H-M 'C 1 1 1' _cell_angle_alpha 90 _cell_angle_beta 95.8338 _cell_angle_gamma 90 _cell_length_a 5.2234 _cell_length_b 9.1790 _cell_length_c 20.2353 _cell_volume 965.169 _database_code_amcsd 0012228 _exptl_crystal_density_diffrn 2.588 _cod_original_sg_symbol_H-M 'C 1 1 1' _cod_original_formula_sum 'K.776 Na.181 Ca.011 Al2.726 Fe.03 Mg.02 Si3.15 Ti.02 O11' _cod_database_code 9012886 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,y+1/2,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 K1 0.00000 0.10500 0.25000 0.63000 0.03470 NaK1 0.00000 0.10500 0.25000 0.14700 0.03470 CaK1 0.00000 0.10500 0.25000 0.00900 0.03470 K1* 0.00000 0.89500 0.75000 0.92300 0.03470 NaK1* 0.00000 0.89500 0.75000 0.21500 0.03470 CaK1* 0.00000 0.89500 0.75000 0.01300 0.03470 AlM2A 0.27200 0.09400 -0.00050 0.91600 0.00127 FeM2A 0.27200 0.09400 -0.00050 0.01500 0.00127 MgM2A 0.27200 0.09400 -0.00050 0.01000 0.00127 AlM2B 0.27200 0.90600 0.49950 0.91600 0.00127 FeM2B 0.27200 0.90600 0.49950 0.01500 0.00127 MgM2B 0.27200 0.90600 0.49950 0.01000 0.00127 AlM2C 0.72800 0.90600 0.00050 0.91600 0.00127 FeM2C 0.72800 0.90600 0.00050 0.01500 0.00127 MgM2C 0.72800 0.90600 0.00050 0.01000 0.00127 AlM2D 0.72800 0.09400 0.50050 0.91600 0.00127 FeM2D 0.72800 0.09400 0.50050 0.01500 0.00127 MgM2D 0.72800 0.09400 0.50050 0.01000 0.00127 SiT1A 0.46200 0.93100 0.13690 0.78700 0.00127 AlT1A 0.46200 0.93100 0.13690 0.22300 0.00127 TiT1A 0.46200 0.93100 0.13690 0.00500 0.00127 SiT1B 0.46200 0.06900 0.63690 0.78700 0.00127 AlT1B 0.46200 0.06900 0.63690 0.22300 0.00127 TiT1B 0.46200 0.06900 0.63690 0.00500 0.00127 SiT1C 0.53800 0.06900 0.86310 0.78700 0.00127 AlT1C 0.53800 0.06900 0.86310 0.22300 0.00127 TiT1C 0.53800 0.06900 0.86310 0.00500 0.00127 SiT1D 0.53800 0.93100 0.36310 0.78700 0.00127 AlT1D 0.53800 0.93100 0.36310 0.22300 0.00127 TiT1D 0.53800 0.93100 0.36310 0.00500 0.00127 SiT2A 0.45100 0.25900 0.13650 0.78800 0.00127 AlT2A 0.45100 0.25900 0.13650 0.22400 0.00127 TiT2A 0.45100 0.25900 0.13650 0.00500 0.00127 SiT2B 0.45100 0.74100 0.63650 0.78800 0.00127 AlT2B 0.45100 0.74100 0.63650 0.22400 0.00127 TiT2B 0.45100 0.74100 0.63650 0.00500 0.00127 SiT2C 0.54900 0.74100 0.86350 0.78800 0.00127 AlT2C 0.54900 0.74100 0.86350 0.22400 0.00127 TiT2C 0.54900 0.74100 0.86350 0.00500 0.00127 SiT2D 0.54900 0.25900 0.36350 0.78800 0.00127 AlT2D 0.54900 0.25900 0.36350 0.22400 0.00127 TiT2D 0.54900 0.25900 0.36350 0.00500 0.00127 O1A 0.50700 0.95300 0.05820 1.00000 0.00215 O1B 0.50700 0.04700 0.55820 1.00000 0.00215 O1C 0.49300 0.04700 0.94180 1.00000 0.00215 O1D 0.49300 0.95300 0.44180 1.00000 0.00215 O2A 0.35100 0.23700 0.05750 1.00000 0.00215 O2B 0.35100 0.76300 0.55750 1.00000 0.00215 O2C 0.64900 0.76300 0.94250 1.00000 0.00215 O2D 0.64900 0.23700 0.44250 1.00000 0.00215 O3A 0.43700 0.10500 0.17220 1.00000 0.00215 O3B 0.43700 0.89500 0.67220 1.00000 0.00215 O3C 0.56300 0.89500 0.82780 1.00000 0.00215 O3D 0.56300 0.10500 0.32780 1.00000 0.00215 O4A 0.23200 0.82900 0.15420 1.00000 0.00215 O4B 0.23200 0.17100 0.65420 1.00000 0.00215 O4C 0.76800 0.17100 0.84580 1.00000 0.00215 O4D 0.76800 0.82900 0.34580 1.00000 0.00215 O5A 0.24600 0.36900 0.17080 1.00000 0.00215 O5B 0.24600 0.63100 0.67080 1.00000 0.00215 O5C 0.75400 0.63100 0.82920 1.00000 0.00215 O5D 0.75400 0.36900 0.32920 1.00000 0.00215 O6A 0.00000 0.00000 0.00000 1.00000 0.00215 O6B 0.00000 0.00000 0.50000 1.00000 0.00215 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0012228