data_global _chemical_name_mineral 'Pargasite' loop_ _publ_author_name 'Jenkins D M' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 13 _journal_page_last 24 _publ_section_title ; Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 8-2 ; _database_code_amcsd 0005422 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Si6.8 Ga1.62 Mg4.6 Ca1.96 Na.71 O22 F2' _cell_length_a 9.8820 _cell_length_b 18.017 _cell_length_c 5.2990 _cell_angle_alpha 90 _cell_angle_beta 105.068 _cell_angle_gamma 90 _cell_volume 911.017 _exptl_crystal_density_diffrn 3.283 _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 0.28350 0.08480 0.30270 0.74000 0.00507 GaT1 0.28350 0.08480 0.30270 0.26000 0.00507 SiT2 0.28970 0.17110 0.81390 0.96000 0.00507 GaT2 0.28970 0.17110 0.81390 0.04000 0.00507 MgM1 0.00000 0.08620 0.50000 1.00000 0.00760 MgM2 0.00000 0.17810 0.00000 0.79000 0.00760 GaM2 0.00000 0.17810 0.00000 0.21000 0.00760 MgM3 0.00000 0.00000 0.00000 0.98000 0.00760 CaM4 0.00000 0.27850 0.50000 0.98000 0.01140 MgM4 0.00000 0.27850 0.50000 0.02000 0.01140 NaA 0.00000 0.50000 0.00000 0.71000 0.02913 O1 0.11080 0.08790 0.20330 1.00000 0.01013 O2 0.11260 0.17170 0.73260 1.00000 0.01013 F3 0.10260 0.00000 0.70830 1.00000 0.01013 O4 0.35160 0.24700 0.77490 1.00000 0.01013 O5 0.35520 0.13840 0.09350 1.00000 0.01267 O6 0.33970 0.11550 0.61920 1.00000 0.01267 O7 0.35170 0.00000 0.29010 1.00000 0.01520