#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/40/1534003.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_1534003 loop_ _publ_author_name 'Pekov, I.V.' 'Ferraris, G.' 'Chukanov, N.V.' 'Ivaldi, G.' 'Zadov, A.E.' 'Pushcharovskii, D.Yu.' _publ_section_title ; Shirokshinite, K (Na Mg2) Si4 O10 F, a new mica with octahedral Na from Khibiny massif, Kola peninsula: descriptive data and structural disorder ; _journal_name_full 'European Journal of Mineralogy (1,1989-)' _journal_page_first 447 _journal_page_last 454 _journal_volume 15 _journal_year 2003 _chemical_formula_sum 'F2 K Mg2 Na O10 Si4' _chemical_name_systematic 'K (Na Mg2) (Si4 O10 F2)' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 100.12 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.269 _cell_length_b 9.092 _cell_length_c 10.197 _cell_volume 480.895 _citation_journal_id_ASTM EJMIER _cod_data_source_file Pekov_EJMIER_2003_722.cif _cod_data_source_block F2K1Mg2Na1O10Si4 _cod_original_cell_volume 480.8948 _cod_original_formula_sum 'F2 K1 Mg2 Na1 O10 Si4' _cod_database_code 1534003 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z 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 K1 K+1 0 0.5 0 1 0.0 Si1 Si+4 0.0762 0.1667 0.2261 1 0.0 O1 O-2 0.048 0 0.164 1 0.0 F1 F-1 0.124 0.5 0.3897 1 0.0 Mg1 Mg+2 0 0.3338 0.5 1 0.0 O2 O-2 0.308 0.2471 0.1636 1 0.0 Na1 Na+1 0 0 0.5 1 0.0 O3 O-2 0.132 0.1678 0.3849 1 0.0