#------------------------------------------------------------------------------ #$Date: 2022-09-25 20:10:12 +0100 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/09/1010973.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_1010973 loop_ _publ_author_name 'Hey, M H' 'Bannister, F A' _publ_section_title ; Studies on the Zeolites. Part IV. Ashcroftine (Kalithomsonite of S. G. Gordon). ; _journal_coden_ASTM MIASA6 _journal_name_full ; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) ; _journal_page_first 305 _journal_page_last 308 _journal_paper_doi 10.1180/minmag.1933.023.140.02 _journal_volume 23 _journal_year 1933 _chemical_compound_source 'from the British Museum' _chemical_formula_structural 'Na K (Ca Mg Mn) Al4 Si5 O18 (H2 O)8' _chemical_formula_sum 'Al4 Ca H16 K Mg Mn Na O26 Si5' _chemical_name_mineral Ashcroftine _chemical_name_systematic ; Sodium potassium calcium magnesium manganese aluminium silicate hydrate * ; _space_group_IT_number 136 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 40 _cell_length_a 34.03999(5000) _cell_length_b 34.03999(5000) _cell_length_c 17.48999(5000) _cell_volume 20266.0 _cod_original_formula_sum 'H16 Al4 Ca K Mg Mn Na O26 Si5' _cod_database_code 1010973 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z -x,-y,-z x,y,-z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z y,x,z -y,-x,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z -y,-x,-z y,x,-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?