data_global _chemical_name_mineral 'Tschermakite' loop_ _publ_author_name 'Abdu Y A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 47 _journal_year 2009 _journal_page_first 917 _journal_page_last 926 _publ_section_title ; Crystal structure and Mossbauer spectroscopy of tschermakite from the ruby locality at Fiskenaesset, Greenland ; _database_code_amcsd 0006297 _chemical_compound_source 'Fiskenaesset, Greenland' _chemical_formula_sum 'Na.88 K.1 Mg3.66 Fe.47 Al2.37 Cr.2 Ca1.8 Si6.44 O24 H2' _cell_length_a 9.8059 _cell_length_b 17.9721 _cell_length_c 5.3012 _cell_angle_alpha 90 _cell_angle_beta 105.063 _cell_angle_gamma 90 _cell_volume 902.144 _exptl_crystal_density_diffrn 3.139 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv NaA2 0.50000 -0.02800 0.00000 0.28000 0.02400 NaAm 0.52100 0.00000 0.05600 0.13000 0.02400 KAm 0.52100 0.00000 0.05600 0.05000 0.02400 MgM1 0.00000 0.08899 0.50000 0.93000 0.00840 FeM1 0.00000 0.08899 0.50000 0.07000 0.00840 MgM2 0.00000 0.17630 0.00000 0.48000 0.00630 AlM2 0.00000 0.17630 0.00000 0.38000 0.00630 CrM2 0.00000 0.17630 0.00000 0.10000 0.00630 FeM2 0.00000 0.17630 0.00000 0.04000 0.00630 MgM3 0.00000 0.00000 0.00000 0.84000 0.00760 AlM3 0.00000 0.00000 0.00000 0.05000 0.00760 FeM3 0.00000 0.00000 0.00000 0.11000 0.00760 CaM4 0.00000 0.27940 0.50000 0.90000 0.01250 NaM4 0.00000 0.27940 0.50000 0.03000 0.01250 FeM4 0.00000 0.27940 0.50000 0.07000 0.01250 SiT1 0.28110 0.08569 0.30170 0.67000 0.00770 AlT1 0.28110 0.08569 0.30170 0.33000 0.00770 SiT2 0.29140 0.17326 0.81360 0.94000 0.00850 AlT2 0.29140 0.17326 0.81360 0.06000 0.00850 O1 0.10660 0.08940 0.21360 1.00000 0.01190 O2 0.11890 0.17360 0.73570 1.00000 0.01060 O3 0.10999 0.00000 0.71460 1.00000 0.01130 O4 0.36840 0.25100 0.79180 1.00000 0.01340 O5 0.35095 0.14020 0.11140 1.00000 0.01380 O6 0.34330 0.11830 0.60450 1.00000 0.01400 O7 0.33680 0.00000 0.28090 1.00000 0.01730 H 0.21300 0.00000 0.78200 1.00000 0.06000 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 MgM1 0.01010 0.00880 0.00710 0.00000 0.00350 0.00000 FeM1 0.01010 0.00880 0.00710 0.00000 0.00350 0.00000 MgM2 0.00660 0.00670 0.00590 0.00000 0.00200 0.00000 AlM2 0.00660 0.00670 0.00590 0.00000 0.00200 0.00000 CrM2 0.00660 0.00670 0.00590 0.00000 0.00200 0.00000 FeM2 0.00660 0.00670 0.00590 0.00000 0.00200 0.00000 MgM3 0.00880 0.00670 0.00700 0.00000 0.00160 0.00000 AlM3 0.00880 0.00670 0.00700 0.00000 0.00160 0.00000 FeM3 0.00880 0.00670 0.00700 0.00000 0.00160 0.00000 CaM4 0.01330 0.01370 0.01210 0.00000 0.00640 0.00000 NaM4 0.01330 0.01370 0.01210 0.00000 0.00640 0.00000 FeM4 0.01330 0.01370 0.01210 0.00000 0.00640 0.00000 SiT1 0.00740 0.00810 0.00760 -0.00100 0.00190 -0.00040 AlT1 0.00740 0.00810 0.00760 -0.00100 0.00190 -0.00040 SiT2 0.00820 0.00940 0.00800 0.00000 0.00240 0.00080 AlT2 0.00820 0.00940 0.00800 0.00000 0.00240 0.00080 O1 0.01010 0.01670 0.00920 -0.00200 0.00310 -0.00100 O2 0.00730 0.01250 0.01130 0.00040 0.00150 0.00140 O3 0.01050 0.01250 0.01120 0.00000 0.00320 0.00000 O4 0.01550 0.01190 0.01440 -0.00250 0.00670 0.00030 O5 0.01130 0.01710 0.01220 0.00070 0.00150 0.00410 O6 0.01130 0.01740 0.01350 0.00190 0.00360 -0.00460 O7 0.01470 0.01500 0.02190 0.00000 0.00410 0.00000