#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/18/1541808.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_1541808 loop_ _publ_author_name 'Slade, P.G.' 'Radoslovich, E.W.' _publ_section_title ; The structure of an ephesite-2M1 in spacegroup Cc ; _journal_name_full ; Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) ; _journal_page_first 337 _journal_page_last 352 _journal_volume 1985 _journal_year 1985 _chemical_formula_sum 'Al4 H2 Li Na O12 Si2' _chemical_name_systematic 'Na Li (Al2 (Si Al)2 O10 (O H)2)' _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90 _cell_angle_beta 95.19 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.114 _cell_length_b 8.865 _cell_length_c 19.29 _cell_volume 870.939 _citation_journal_id_ASTM NJMMAW _cod_data_source_file Slade_NJMMAW_1985_1976.cif _cod_data_source_block H2Al4Li1Na1O12Si2 _cod_original_cell_volume 870.9385 _cod_original_formula_sum 'H2 Al4 Li1 Na1 O12 Si2' _cod_database_code 1541808 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z+1/2 x+1/2,y+1/2,z x+1/2,-y+1/2,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 Na1 Na+1 0 0.0914 0.25 1 0.0 Al1 Al+3 0.7436 0.9209 0.9996 1 0.0 O8 O-2 0.7081 0.2225 0.8331 1 0.0 O2 O-2 0.0477 0.5622 0.9408 1 0.0 Si1 Si+4 0.5326 0.0777 0.8551 1 0.0 O7 O-2 0.2665 0.7788 0.1638 1 0.0 Si3 Si+4 0.5409 0.7477 0.857 0.5 0.0 Al2 Al+3 0.2534 0.0903 0 1 0.0 Al3 Al+3 0.4603 0.9243 0.1404 1 0.0 O6 O-2 0.6407 0.9176 0.8269 1 0.0 O11 O-2 0.4438 0.5745 0.0476 1 0.0 Si2 Si+4 0.4568 0.2558 0.1428 0.5 0.0 Li1 Li+1 0.2351 0.259 0.497 1 0.0 O1 O-2 0.9523 0.4358 0.0491 1 0.0 Al4 Al+3 0.4568 0.2558 0.1428 0.5 0.0 O9 O-2 0.2867 0.3925 0.1755 1 0.0 O4 O-2 0.6049 0.7489 0.946 1 0.0 O10 O-2 0.7313 0.6088 0.8284 1 0.0 O12 O-2 0.5445 0.4432 0.9491 1 0.0 Al5 Al+3 0.5409 0.7477 0.857 0.5 0.0 O5 O-2 0.3543 0.0975 0.1727 1 0.0 O3 O-2 0.4027 0.2512 0.0548 1 0.0