data_global _chemical_name_mineral 'Parvo-mangano-edenite' loop_ _publ_author_name 'Oberti R' 'Camara F' 'Della Ventura G' 'Iezzi G' 'Benimoff A I' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 526 _journal_page_last 532 _publ_section_title ; Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution between Ca and Mn2+ at the M4 site in amphiboles Sample: 1079 Note: A and B occupancies invented to match formula ; _database_code_amcsd 0004128 _chemical_compound_source 'Grenville marble, Arnold open pit, St Lawrence Co, New York, USA' _chemical_formula_sum 'Na.64 K.02 Ca Mn1.27 Mg4.56 Fe.04 Al.76 Ti.01 Si7.36 O24 H2' _cell_length_a 9.795 _cell_length_b 18.047 _cell_length_c 5.2869 _cell_angle_alpha 90 _cell_angle_beta 104.28 _cell_angle_gamma 90 _cell_volume 905.691 _exptl_crystal_density_diffrn 3.125 _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 NaA 0.00000 0.50000 0.00000 0.07000 0.01330 NaAm 0.04500 0.50000 0.10800 0.14500 0.04129 NaA2 0.00000 0.47310 0.00000 0.14000 0.04015 KA2 0.00000 0.47310 0.00000 0.01000 0.04015 CaM4B 0.00000 0.27260 0.50000 0.45000 0.01760 MnM4B 0.00000 0.27260 0.50000 0.45000 0.01760 CaM4*B 0.00000 0.25830 0.50000 0.05000 0.01545 MnM4*B 0.00000 0.25830 0.50000 0.05000 0.01545 MgM1 0.00000 0.08790 0.50000 0.94000 0.00836 Mn2+M1 0.00000 0.08790 0.50000 0.05500 0.00836 Fe2+M1 0.00000 0.08790 0.50000 0.00500 0.00836 MgM2 0.00000 0.17670 0.00000 0.91000 0.00747 Mn2+M2 0.00000 0.17670 0.00000 0.06000 0.00747 Fe3+M2 0.00000 0.17670 0.00000 0.01000 0.00747 AlM2 0.00000 0.17670 0.00000 0.01000 0.00747 Ti4+M2 0.00000 0.17670 0.00000 0.00500 0.00747 Fe2+M2 0.00000 0.17670 0.00000 0.00500 0.00747 MgM3 0.00000 0.00000 0.00000 0.86000 0.00798 AlM3 0.00000 0.00000 0.00000 0.10000 0.00798 Mn2+M3 0.00000 0.00000 0.00000 0.04000 0.00798 SiT1 0.28190 0.08440 0.29380 0.84000 0.00671 AlT1 0.28190 0.08440 0.29380 0.16000 0.00671 SiT2 0.29140 0.17110 0.80080 1.00000 0.00735 O1 0.11110 0.08600 0.21750 1.00000 0.00861 O2 0.12090 0.17220 0.72480 1.00000 0.00887 O3 0.10970 0.00000 0.71460 1.00000 0.00899 O4 0.36920 0.24760 0.78240 1.00000 0.01317 O5 0.34850 0.13560 0.09520 1.00000 0.01418 O6 0.34540 0.11610 0.59190 1.00000 0.01456 O7 0.34110 0.00000 0.27670 1.00000 0.01381 H 0.20300 0.00000 0.76700 1.00000 0.01279 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 NaA 0.01735 0.00165 0.02221 0.00000 0.00715 0.00000 NaAm 0.04930 0.03630 0.04322 0.00000 0.02070 0.00000 NaA2 0.04063 0.02145 0.07740 0.00000 0.05051 0.00000 KA2 0.04063 0.02145 0.07740 0.00000 0.05051 0.00000 CaM4B 0.01552 0.02310 0.01649 0.00000 0.00838 0.00000 MnM4B 0.01552 0.02310 0.01649 0.00000 0.00838 0.00000 MgM1 0.00959 0.00660 0.00864 0.00000 0.00172 0.00000 Mn2+M1 0.00959 0.00660 0.00864 0.00000 0.00172 0.00000 Fe2+M1 0.00959 0.00660 0.00864 0.00000 0.00172 0.00000 MgM2 0.00822 0.00495 0.00904 0.00000 0.00148 0.00000 Mn2+M2 0.00822 0.00495 0.00904 0.00000 0.00148 0.00000 Fe3+M2 0.00822 0.00495 0.00904 0.00000 0.00148 0.00000 AlM2 0.00822 0.00495 0.00904 0.00000 0.00148 0.00000 Ti4+M2 0.00822 0.00495 0.00904 0.00000 0.00148 0.00000 Fe2+M2 0.00822 0.00495 0.00904 0.00000 0.00148 0.00000 MgM3 0.00913 0.00495 0.00931 0.00000 0.00123 0.00000 AlM3 0.00913 0.00495 0.00931 0.00000 0.00123 0.00000 Mn2+M3 0.00913 0.00495 0.00931 0.00000 0.00123 0.00000 SiT1 0.00730 0.00330 0.00864 -0.00087 0.00049 -0.00047 AlT1 0.00730 0.00330 0.00864 -0.00087 0.00049 -0.00047 SiT2 0.00730 0.00495 0.00891 -0.00087 0.00025 0.00047 O1 0.00822 0.00660 0.01037 0.00000 0.00074 0.00047 O2 0.00822 0.00660 0.01130 0.00087 0.00123 0.00047 O3 0.00776 0.00660 0.01170 0.00000 0.00074 0.00000 O4 0.01415 0.00825 0.01529 0.00434 0.00000 0.00141 O5 0.00959 0.01650 0.01516 0.00000 0.00074 0.00703 O6 0.01004 0.01650 0.01583 0.00174 0.00049 -0.00703 O7 0.01187 0.00825 0.01982 0.00000 0.00148 0.00000