#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/10/1531081.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_1531081 loop_ _publ_author_name 'Armbruster, T.' 'Gutzmer, J.' 'Gnos, E.' 'Doebelin, N.' 'Dixon, R.' 'Hejny, C.' 'Medenbach, O.' _publ_section_title ; Manganvesuvianite and tweddillite, two new Mn(3+)-silicate minerals from the Kalahari manganese fields, South Africa ; _journal_name_full 'Mineralogical Magazine (1969-)' _journal_page_first 137 _journal_page_last 150 _journal_volume 66 _journal_year 2002 _chemical_formula_sum 'Al1.42 Ca H Mn1.58 O13 Si3 Sr' _chemical_name_systematic 'Ca Sr Mn1.58 Al1.42 Si3 O12 (O H)' _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 114.54 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.934 _cell_length_b 5.718 _cell_length_c 10.325 _cell_volume 479.805 _citation_journal_id_ASTM MNLMBB _cod_data_source_file Armbruster_MNLMBB_2002_1188.cif _cod_data_source_block H1Al1.42Ca1Mn1.58O13Si3Sr1 _cod_original_formula_sum 'H1 Al1.42 Ca1 Mn1.58 O13 Si3 Sr1' _cod_database_code 1531081 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z -x,-y,-z x,-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 O6 O-2 0.0661 0.75 0.4061 1 0.0 O7 O-2 0.5174 0.75 0.1691 1 0.0 Sr1 Sr+2 0.5941 0.75 0.42163 1 0.0 O9 O-2 0.6323 0.25 0.1063 1 0.0 O1 O-2 0.2389 0.9915 0.0386 1 0.0 O10 O-2 0.0815 0.25 0.4293 1 0.0 Al2 Al+3 0 0 0.5 1 0.0 Mn1 Mn+3 0 0 0 0.57 0.0 O8 O-2 0.5277 0.25 0.311 1 0.0 Al1 Al+3 0 0 0 0.43 0.0 H1 H+1 0.06 0.25 0.339 1 0.0 O2 O-2 0.2984 0.9786 0.348 1 0.0 Ca1 Ca+2 0.7646 0.75 0.1575 1 0.0 O5 O-2 0.0369 0.75 0.1479 1 0.0 O3 O-2 0.7967 0.016 0.3433 1 0.0 Si1 Si+4 0.3417 0.75 0.0411 1 0.0 O4 O-2 0.06 0.25 0.1312 1 0.0 Si3 Si+4 0.1803 0.75 0.315 1 0.0 Si2 Si+4 0.6877 0.25 0.2787 1 0.0 Mn2 Mn+3 0.2954 0.25 0.2181 1 0.0