#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007176.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_9007176 loop_ _publ_author_name 'Comodi P' 'Drabek M' 'Montagnoli M' 'Rieder M' 'Weiss Z' 'Zanazzi P F' _publ_section_title ; Pressure-induced phase transition in synthetic trioctahedral Rb-mica Sample: P = 4.75 GPa ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 198 _journal_page_last 205 _journal_volume 30 _journal_year 2003 _chemical_formula_sum 'Fe4.07 H2 O12 Rb0.99 Si2.96' _[local]_cod_chemical_formula_sum_orig 'Rb.99 Fe4.07 Si2.96 O12 H2' _chemical_name_mineral Mica _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 100.8 _cell_angle_gamma 90 _cell_length_a 5.420 _cell_length_b 9.383 _cell_length_c 9.846 _cell_volume 491.858 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 -x,y,-z 1/2-x,1/2+y,-z -x,-y,-z 1/2-x,1/2-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 Rb 0.00000 0.50000 0.00000 0.99000 0.15300 FeM1 0.00000 0.00000 0.50000 1.00000 0.01100 FeM2 0.00000 0.33270 0.50000 1.00000 0.01100 FeT 0.07600 0.16630 0.22700 0.26750 0.02200 SiT 0.07600 0.16630 0.22700 0.74000 0.02200 O1 0.11000 0.00000 0.18000 1.00000 0.14900 O2 0.27300 0.26300 0.15500 1.00000 0.06400 O3 0.14400 0.15800 0.41700 1.00000 0.03300 O-H 0.12700 0.50000 0.36600 1.00000 ?