#------------------------------------------------------------------------------ #$Date: 2015-09-28 10:37:45 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158449 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532521.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_1532521 loop_ _publ_author_name 'Kudoh, Y.' 'Kuribayashi, T.' 'Kagi, H.' 'Sasaki, S.' 'Tanaka, M.' _publ_section_title ; High-pressure structural study of phase-A, Mg7 Si2 H6 O14 using synchrotron radiation ; _journal_name_full 'Journal of Physics: Condensed Matter' _journal_page_first 10491 _journal_page_last 10495 _journal_volume 14 _journal_year 2002 _chemical_formula_sum 'H6 Mg7 O14 Si2' _chemical_name_systematic '(Mg2 (Si O4))2 (Mg (O H)2)3' _space_group_IT_number 173 _symmetry_space_group_name_Hall 'P 6c' _symmetry_space_group_name_H-M 'P 63' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 7.756 _cell_length_b 7.756 _cell_length_c 9.469 _cell_volume 493.299 _citation_journal_id_ASTM JCOMEL _cod_data_source_file Kudoh_JCOMEL_2002_359.cif _cod_data_source_block H6Mg7O14Si2 _cod_original_cell_volume 493.2991 _cod_database_code 1532521 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O1 O-2 0.2077 0.0317 -0.023 1 0.0 Si2 Si+4 0 0 0.4079 1 0.0 O2 O-2 0.4728 0.0985 0.4848 1 0.0 Si1 Si+4 0.6667 0.3333 0.1785 1 0.0 O3 O-2 0.45 0.2891 0.2421 1 0.0 O5 O-2 0.6667 0.3333 0 1 0.0 Mg1 Mg+2 0.3734 0.4584 0.3878 1 0.0 Mg3 Mg+2 0.3333 0.6667 0.1101 1 0.0 O4 O-2 0.1634 0.4344 0.2443 1 0.0 Mg2 Mg+2 0.2215 0.2434 0.1179 1 0.0 O6 O-2 0 0 0.2341 1 0.0