#------------------------------------------------------------------------------ #$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $ #$Revision: 292100 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017517.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9017517 loop_ _publ_author_name 'Brandao, P.' 'Rocha, J.' 'Reis, M. S.' 'dos Santos, A. M.' 'Jin, R.' _publ_section_title ; Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 253 _journal_page_last 258 _journal_volume 182 _journal_year 2009 _chemical_compound_source Synthetic _chemical_formula_sum 'K Mn Na O10 Si4' _chemical_name_mineral Manaksite _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 105.700 _cell_angle_beta 99.507 _cell_angle_gamma 114.577 _cell_length_a 6.9851 _cell_length_b 8.1825 _cell_length_c 9.9747 _cell_formula_units_Z 2 _cell_volume 473.339 _database_code_amcsd 0019814 _exptl_crystal_density_diffrn 2.732 _cod_data_source_file inputs/fixed/downloads/17/17425.cif _cod_data_source_block 17425 _cod_original_formula_sum 'K Na Mn Si4 O10' _cod_database_code 9017517 loop_ _space_group_symop_operation_xyz x,y,z -x,-y,-z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K 0.02750 0.01760 0.02720 0.00980 0.01160 0.00870 Na 0.01520 0.04500 0.01690 0.01720 0.00810 0.00920 Mn 0.01050 0.01450 0.01070 0.00790 0.00220 0.00520 Si1 0.00730 0.00930 0.00800 0.00510 0.00310 0.00450 Si2 0.00440 0.01080 0.01180 0.00550 0.00250 0.00480 Si3 0.00560 0.01110 0.01120 0.00530 0.00130 0.00280 Si4 0.00880 0.01170 0.00630 0.00630 0.00200 0.00390 O1 0.02000 0.01700 0.01500 0.01180 0.00870 0.00720 O2 0.00890 0.01400 0.01100 0.00640 0.00380 0.00330 O3 0.01020 0.01600 0.01400 0.00490 0.00390 0.00660 O4 0.02100 0.01900 0.00600 0.00490 0.00290 0.00520 O5 0.00740 0.01800 0.02800 0.00520 0.00800 0.01200 O6 0.01300 0.01500 0.01600 0.00790 0.00490 0.01120 O7 0.02200 0.01600 0.02300 0.01610 0.01310 0.01200 O8 0.00640 0.01500 0.01400 0.00680 0.00160 0.00090 O9 0.01700 0.02200 0.02400 0.01310 0.00750 0.01400 O10 0.01400 0.03100 0.01500 0.01250 0.00000 0.00100 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K 0.15740 0.79866 0.99056 0.02410 Na 0.83500 0.85940 0.58870 0.02490 Mn 0.34114 0.89177 0.59228 0.01120 Si1 0.53910 0.70260 0.78945 0.00740 Si2 0.36910 0.63720 0.26794 0.00820 Si3 -0.06450 0.63460 0.26920 0.00930 Si4 0.70780 0.82430 1.13160 0.00840 O1 0.19630 0.96130 0.75910 0.01570 O2 0.49970 0.82290 0.41570 0.01090 O3 0.46550 0.67470 0.13520 0.01380 O4 0.67810 0.81260 0.96320 0.01710 O5 0.28020 0.57380 0.77320 0.01700 O6 0.58080 0.86020 0.71990 0.01300 O7 0.62670 0.55460 0.71580 0.01560 O8 0.10810 0.57550 0.20630 0.01290 O9 -0.12410 0.73880 0.16290 0.01810 O10 0.03120 0.77230 0.43520 0.02220 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0019814