data_global _chemical_name_mineral 'Fluoro-edenite' loop_ _publ_author_name 'Della Ventura G' 'Bellatreccia F' 'Camara F' 'Oberti R' _journal_name_full 'Mineralogical Magazine' _journal_volume 78 _journal_year 2014 _journal_page_first 293 _journal_page_last 310 _publ_section_title ; Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample GE408 ; _database_code_amcsd 0020432 _chemical_compound_source 'Limecrest-Southdown Quarry, Sparta, New Jersey, USA' _chemical_formula_sum 'Ca2.02 Na.65 K.11 Mg4.75 Al.97 Ti.01 Fe.18 Mn.01 Si7.09 O22.86 F1.14 Cl.01 H.86' _cell_length_a 9.871 _cell_length_b 18.033 _cell_length_c 5.2805 _cell_angle_alpha 90 _cell_angle_beta 104.97 _cell_angle_gamma 90 _cell_volume 908.048 _exptl_crystal_density_diffrn 3.075 _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 CaA 0.00000 0.50000 0.00000 0.00600 0.02191 NaA 0.00000 0.50000 0.00000 0.13000 0.02191 KA 0.00000 0.50000 0.00000 0.02200 0.02191 CaAm 0.04458 0.50000 0.09785 0.00600 0.02584 NaAm 0.04458 0.50000 0.09785 0.13000 0.02584 KAm 0.04458 0.50000 0.09785 0.02200 0.02584 CaA2 0.00000 0.47231 0.00000 0.00600 0.03635 NaA2 0.00000 0.47231 0.00000 0.13000 0.03635 KA2 0.00000 0.47231 0.00000 0.02200 0.03635 MgM1 0.00000 0.08840 0.50000 0.95000 0.00608 AlM1 0.00000 0.08840 0.50000 0.01200 0.00608 TiM1 0.00000 0.08840 0.50000 0.00200 0.00608 FeM1 0.00000 0.08840 0.50000 0.03600 0.00608 MnM1 0.00000 0.08840 0.50000 0.00200 0.00608 MgM2 0.00000 0.17610 0.00000 0.95000 0.00545 AlM2 0.00000 0.17610 0.00000 0.01200 0.00545 TiM2 0.00000 0.17610 0.00000 0.00200 0.00545 FeM2 0.00000 0.17610 0.00000 0.03600 0.00545 MnM2 0.00000 0.17610 0.00000 0.00200 0.00545 MgM3 0.00000 0.00000 0.00000 0.95000 0.00608 AlM3 0.00000 0.00000 0.00000 0.01200 0.00608 TiM3 0.00000 0.00000 0.00000 0.00200 0.00608 FeM3 0.00000 0.00000 0.00000 0.03600 0.00608 MnM3 0.00000 0.00000 0.00000 0.00200 0.00608 CaM4 0.00000 0.27840 0.50000 0.49750 0.00925 CaM4* 0.00000 0.25650 0.50000 0.49750 0.00507 SiT1 0.28028 0.08445 0.29996 0.88630 0.00494 AlT1 0.28028 0.08445 0.29996 0.11370 0.00494 SiT2 0.28905 0.17190 0.80750 0.88630 0.00507 AlT2 0.28905 0.17190 0.80750 0.11370 0.00507 O1 0.10980 0.08556 0.21899 1.00000 0.00659 O2 0.11931 0.17125 0.72617 1.00000 0.00671 O3 0.10653 0.00000 0.71504 0.43000 0.00975 F3 0.10653 0.00000 0.71504 0.57000 0.00975 Cl3 0.10653 0.00000 0.71504 0.00500 0.00975 O4 0.36476 0.24882 0.79029 1.00000 0.00925 O5 0.34799 0.13643 0.10432 1.00000 0.01039 O6 0.34494 0.11723 0.59980 1.00000 0.00975 O7 0.34091 0.00000 0.28617 1.00000 0.01203 H 0.19406 0.00000 0.77619 0.43000 0.01267 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 CaA 0.02165 0.01977 0.03059 0.00000 0.01700 0.00000 NaA 0.02165 0.01977 0.03059 0.00000 0.01700 0.00000 KA 0.02165 0.01977 0.03059 0.00000 0.01700 0.00000 CaAm 0.02165 0.03130 0.02927 0.00000 0.01479 0.00000 NaAm 0.02165 0.03130 0.02927 0.00000 0.01479 0.00000 KAm 0.02165 0.03130 0.02927 0.00000 0.01479 0.00000 CaA2 0.04745 0.00824 0.07238 0.00000 0.05077 0.00000 NaA2 0.04745 0.00824 0.07238 0.00000 0.05077 0.00000 KA2 0.04745 0.00824 0.07238 0.00000 0.05077 0.00000 MgM1 0.00737 0.00659 0.00554 0.00000 0.00246 0.00000 AlM1 0.00737 0.00659 0.00554 0.00000 0.00246 0.00000 TiM1 0.00737 0.00659 0.00554 0.00000 0.00246 0.00000 FeM1 0.00737 0.00659 0.00554 0.00000 0.00246 0.00000 MnM1 0.00737 0.00659 0.00554 0.00000 0.00246 0.00000 MgM2 0.00599 0.00494 0.00567 0.00000 0.00222 0.00000 AlM2 0.00599 0.00494 0.00567 0.00000 0.00222 0.00000 TiM2 0.00599 0.00494 0.00567 0.00000 0.00222 0.00000 FeM2 0.00599 0.00494 0.00567 0.00000 0.00222 0.00000 MnM2 0.00599 0.00494 0.00567 0.00000 0.00222 0.00000 MgM3 0.00691 0.00494 0.00606 0.00000 0.00173 0.00000 AlM3 0.00691 0.00494 0.00606 0.00000 0.00173 0.00000 TiM3 0.00691 0.00494 0.00606 0.00000 0.00173 0.00000 FeM3 0.00691 0.00494 0.00606 0.00000 0.00173 0.00000 MnM3 0.00691 0.00494 0.00606 0.00000 0.00173 0.00000 CaM4 0.01198 0.00824 0.01094 0.00000 0.00715 0.00000 CaM4' 1.83398 0.00000 0.00000 0.00000 0.00000 0.00000 SiT1 0.00461 0.00494 0.00514 0.00000 0.00123 0.00000 AlT1 0.00461 0.00494 0.00514 0.00000 0.00123 0.00000 SiT2 0.00507 0.00494 0.00514 -0.00087 0.00173 0.00000 AlT2 0.00507 0.00494 0.00514 -0.00087 0.00173 0.00000 O1 0.00645 0.00659 0.00633 -0.00087 0.00173 -0.00047 O2 0.00507 0.00824 0.00686 0.00000 0.00173 0.00000 O3 0.01014 0.00988 0.01028 0.00000 0.00345 0.00000 F3 0.01014 0.00988 0.01028 0.00000 0.00345 0.00000 Cl3 0.01014 0.00988 0.01028 0.00000 0.00345 0.00000 O4 0.01014 0.00824 0.01028 -0.00261 0.00419 -0.00093 O5 0.00783 0.01483 0.00870 0.00000 0.00123 0.00373 O6 0.00737 0.01153 0.01041 0.00000 0.00271 -0.00326 O7 0.01014 0.00824 0.01687 0.00000 0.00197 0.00000 H 4.60683 0.00000 0.00000 0.00000 0.00000 0.00000