#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532854.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_1532854 loop_ _publ_author_name 'Matsubara, S.' 'Miyawaki, R.' 'Kurosawa, M.' 'Suzuki, Y.' _publ_section_title ; Potassicleakeite, a new amphibole from the Tanohata mine, Iwate prefecture, Japan ; _journal_name_full 'Journal of Mineralogical and Petrological Sciences' _journal_page_first 177 _journal_page_last 184 _journal_volume 97 _journal_year 2002 _chemical_formula_sum 'Fe1.52 H2 K0.54 Li0.82 Mg1.53 Mn1.13 Na2.46 O24 Si8' _chemical_name_systematic ; (K0.54 Na0.46) Na2 (Mg1.05 Mn0.95) (Fe1.52 Mg0.48) (Li0.82 Mn0.18) Si8 O22 (O H)2 ; _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 104.04 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 9.932 _cell_length_b 18.003 _cell_length_c 5.2893 _cell_volume 917.505 _citation_journal_id_ASTM JMPSCA _cod_data_source_file Matsubara_JMPSCA_2002_442.cif _cod_data_source_block H2Fe1.52K0.54Li0.82Mg1.53Mn1.13Na2.46O24Si8 _cod_original_cell_volume 917.5045 _cod_original_formula_sum 'H2 Fe1.52 K0.54 Li0.82 Mg1.53 Mn1.13 Na2.46 O24 Si8' _cod_database_code 1532854 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 Si1 Si+4 0.27623 0.08563 0.29408 1 0.0 Fe1 Fe+3 0 0.18197 0 0.761 0.0 H1 H+1 0.181 0 0.702 1 0.0 O7 O-2 0.33149 0 0.2964 1 0.0 K1 K+1 0.0226 0.5 0.0557 0.27 0.0 O2 O-2 0.11877 0.16913 0.72762 1 0.0 Si2 Si+4 0.28677 0.1706 0.80026 1 0.0 Mn1 Mn+2 0 0.08743 0.5 0.474 0.0 O3 O-2 0.10916 0 0.7034 1 0.0 O1 O-2 0.11031 0.0894 0.21812 1 0.0 Mg1 Mg+2 0 0.08743 0.5 0.526 0.0 Li1 Li+1 0 0 0 0.816 0.0 O6 O-2 0.34121 0.11773 0.58552 1 0.0 Mn2 Mn+2 0 0 0 0.184 0.0 Na2 Na+1 0.0226 0.5 0.0557 0.23 0.0 O5 O-2 0.34511 0.12742 0.08328 1 0.0 Mg2 Mg+2 0 0.18197 0 0.239 0.0 O4 O-2 0.36144 0.2484 0.79979 1 0.0 Na1 Na+1 0 0.27701 0.5 1 0.0