data_global _chemical_name_mineral 'Magnesio-fluoro-hastingsite' loop_ _publ_author_name 'Bojar H P' 'Walter F' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 503 _journal_page_last 508 _publ_section_title ; Fluoro-magnesiohastingsite from Dealul Uroi (Hunedoara county, Romania): Mineral data and crystal structure of a new amphibole end-member ; _database_code_amcsd 0020144 _chemical_compound_source 'Dealul Uroi, Hunedoara county, Romania' _chemical_formula_sum 'Na.51 K.21 Ca2.19 Mg4.03 Ti.13 Al2.19 Fe.71 Si5.94 O22 F2' _cell_length_a 9.871 _cell_length_b 18.006 _cell_length_c 5.314 _cell_angle_alpha 90 _cell_angle_beta 105.37 _cell_angle_gamma 90 _cell_volume 910.715 _exptl_crystal_density_diffrn 3.163 _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 NaAm 0.00000 0.48190 0.00000 0.09500 0.01700 KAm 0.00000 0.48190 0.00000 0.04000 0.01700 CaAm 0.00000 0.48190 0.00000 0.03500 0.01700 NaA2 0.05000 0.50000 0.10320 0.16000 0.02400 KA2 0.05000 0.50000 0.10320 0.06500 0.02400 CaA2 0.05000 0.50000 0.10320 0.06000 0.02400 CaM4 0.00000 0.27940 0.50000 1.00000 0.00730 MgM1 0.00000 0.08710 0.50000 0.88500 0.00730 TiM1 0.00000 0.08710 0.50000 0.04500 0.00730 AlM1 0.00000 0.08710 0.50000 0.04000 0.00730 Fe2+M1 0.00000 0.08710 0.50000 0.03000 0.00730 MgM2 0.00000 0.17540 0.00000 0.69000 0.00680 Fe3+M2 0.00000 0.17540 0.00000 0.31000 0.00680 MgM3 0.00000 0.00000 0.00000 0.88000 0.00670 AlM3 0.00000 0.00000 0.00000 0.05000 0.00670 TiM3 0.00000 0.00000 0.00000 0.04000 0.00670 Fe2+M3 0.00000 0.00000 0.00000 0.03000 0.00670 SiT1 0.28220 0.08520 0.30530 0.52500 0.00590 AlT1 0.28220 0.08520 0.30530 0.47500 0.00590 SiT2 0.29140 0.17300 0.81430 0.96000 0.00560 AlT2 0.29140 0.17300 0.81430 0.04000 0.00560 O1 0.10740 0.08650 0.21970 1.00000 0.00690 O2 0.11910 0.17150 0.73180 1.00000 0.00760 F3 0.10490 0.00000 0.71300 1.00000 0.01270 O4 0.36600 0.25100 0.78850 1.00000 0.00860 O5 0.35200 0.14040 0.11450 1.00000 0.01010 O6 0.34700 0.11670 0.61320 1.00000 0.01060 O7 0.34510 0.00000 0.28070 1.00000 0.01550