data_global _chemical_name_mineral 'Pargasite' loop_ _publ_author_name 'Oberti R' 'Hawthorne F C' 'Camara F' 'Raudsepp M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 36 _journal_year 1998 _journal_page_first 1245 _journal_page_last 1252 _publ_section_title ; Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive effects on mean bond-lengths of octahedra Sample: A4 ; _database_code_amcsd 0005571 _chemical_formula_sum 'Si6 Al1.89 Ga1.01 Mg4.1 Ca2.21 Na1.62 O22 F2' _cell_length_a 9.850 _cell_length_b 17.934 _cell_length_c 5.301 _cell_angle_alpha 90 _cell_angle_beta 105.32 _cell_angle_gamma 90 _cell_volume 903.146 _exptl_crystal_density_diffrn 3.329 _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 SiT1 0.28240 0.08510 0.30540 0.75000 0.00532 AlT1 0.28240 0.08510 0.30540 0.18000 0.00532 GaT1 0.28240 0.08510 0.30540 0.07000 0.00532 SiT2 0.29110 0.17330 0.81530 0.75000 0.00646 AlT2 0.29110 0.17330 0.81530 0.18000 0.00646 GaT2 0.29110 0.17330 0.81530 0.07000 0.00646 MgM1 0.00000 0.08920 0.50000 0.82000 0.00557 AlM1 0.00000 0.08920 0.50000 0.09000 0.00557 GaM1 0.00000 0.08920 0.50000 0.09000 0.00557 MgM2 0.00000 0.17570 0.00000 0.82000 0.00557 AlM2 0.00000 0.17570 0.00000 0.09000 0.00557 GaM2 0.00000 0.17570 0.00000 0.09000 0.00557 MgM3 0.00000 0.00000 0.00000 0.82000 0.00519 AlM3 0.00000 0.00000 0.00000 0.09000 0.00519 GaM3 0.00000 0.00000 0.00000 0.09000 0.00519 CaM4 0.00000 0.27940 0.50000 1.00000 0.00963 NaA 0.00000 0.50000 0.00000 0.10000 0.02774 CaA 0.00000 0.50000 0.00000 0.01000 0.02774 NaAm 0.03980 0.50000 0.09140 0.38000 0.02976 CaAm 0.03980 0.50000 0.09140 0.05000 0.02976 NaA2 0.00000 0.47170 0.00000 0.38000 0.02622 CaA2 0.00000 0.47170 0.00000 0.05000 0.02622 O1 0.10720 0.08680 0.21770 1.00000 0.00836 O2 0.11850 0.17180 0.73450 1.00000 0.00785 F3 0.10350 0.00000 0.71270 1.00000 0.00975 O4 0.36680 0.25140 0.78790 1.00000 0.01089 O5 0.35220 0.14090 0.11600 1.00000 0.01292 O6 0.34630 0.11610 0.61310 1.00000 0.01317 O7 0.34510 0.00000 0.27660 1.00000 0.01330