#------------------------------------------------------------------------------ #$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $ #$Revision: 201816 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014242.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_9014242 loop_ _publ_author_name 'Arletti, R.' 'Quartieri, S.' 'Vezzalini, G.' _publ_section_title ; Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 0.0 GPa on release of pressure Note: assignment of site chemistry does not match chemical analysis ; _journal_name_full 'American Mineralogist' _journal_page_first 1247 _journal_page_last 1256 _journal_paper_doi 10.2138/am.2010.3482 _journal_volume 95 _journal_year 2010 _chemical_formula_sum 'Ca3.64 O67.52 Si24' _chemical_name_mineral Boggsite _space_group_IT_number 74 _symmetry_space_group_name_Hall '-I 2b 2' _symmetry_space_group_name_H-M 'I m m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 20.326 _cell_length_b 23.883 _cell_length_c 12.836 _cell_volume 6231.183 _database_code_amcsd 0017095 _exptl_crystal_density_diffrn 2.026 _cod_original_formula_sum 'Si24 O67.52 Ca3.64' _cod_database_code 9014242 loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,1/2+z x,1/2-y,z 1/2+x,-y,1/2+z -x,1/2+y,-z 1/2-x,+y,1/2-z -x,y,z 1/2-x,1/2+y,1/2+z x,-y,-z 1/2+x,1/2-y,1/2-z x,1/2+y,-z 1/2+x,+y,1/2-z -x,1/2-y,z 1/2-x,-y,1/2+z -x,-y,-z 1/2-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 Si1 0.18890 0.18530 0.66900 1.00000 0.01500 Si2 0.18520 0.02090 0.32400 1.00000 0.01500 Si3 0.07740 0.18540 0.83400 1.00000 0.01500 Si4 0.07800 0.02360 0.16700 1.00000 0.01500 Si5 0.22370 0.07960 0.53200 1.00000 0.01500 Si6 0.12110 0.08260 0.96000 1.00000 0.01500 O1 0.18500 0.25000 0.62800 1.00000 0.01200 O2 0.11700 0.17300 0.72700 1.00000 0.01200 O3 0.20200 0.14100 0.57600 1.00000 0.01200 O4 0.18900 0.07100 0.41500 1.00000 0.01200 O5 0.11400 0.04400 0.27500 1.00000 0.01200 O6 0.08400 0.25000 0.86700 1.00000 0.01200 O7 0.00000 0.17300 0.80100 1.00000 0.01200 O8 0.00000 0.02800 0.19600 1.00000 0.01200 O9 0.19100 0.04040 0.61800 1.00000 0.01200 O10 0.09800 0.14500 0.93100 1.00000 0.01200 O11 0.09200 0.06780 0.07400 1.00000 0.01200 O12 0.19880 0.08120 0.96800 1.00000 0.01200 O13 0.10300 0.03750 0.87400 1.00000 0.01200 O14 0.25000 0.18500 0.75000 1.00000 0.01200 O15 0.25000 -0.02660 0.75000 1.00000 0.01200 CaX1 0.00000 0.18000 0.14400 0.53000 0.17400 OX2 0.18600 0.16400 0.22100 1.15000 0.17400 OX3 0.19800 0.25000 0.07700 0.59000 0.17400 OX4 0.13000 0.17700 0.49500 0.53000 0.17400 OX5 0.00000 0.25000 0.52000 0.96000 0.17400 OX6 0.00000 -0.04400 0.40900 1.11000 0.17400 CaX7 0.07900 0.14200 0.37900 0.44000 0.17400 OX8 0.05000 0.14100 0.57700 0.71000 0.17400 CaX9 0.06400 0.25000 0.29400 0.41000 0.17400 OX10 0.10700 0.25000 0.07500 0.91000 0.17400 OX11 0.17900 0.25000 0.35100 0.96000 0.17400 OX12 0.21800 0.25000 0.15700 0.44000 0.17400 OX13 0.00000 0.07900 0.40700 0.90000 0.17400 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0017095