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: 1103 Note: A and B occupancies invented to match formula ; _database_code_amcsd 0004126 _chemical_compound_source 'Grenville marble, Arnold open pit, St Lawrence Co, New York, USA' _chemical_formula_sum 'Na.74 K.02 Ca1.27 Mn1.005 Mg4.51 Fe.07 Ti.01 Al.985 Si7.08 O24 H2' _cell_length_a 9.8260 _cell_length_b 18.0487 _cell_length_c 5.2840 _cell_angle_alpha 90 _cell_angle_beta 104.55 _cell_angle_gamma 90 _cell_volume 907.045 _exptl_crystal_density_diffrn 3.110 _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 0.10000 0.01127 NaAm 0.04300 0.50000 0.10300 0.14000 0.03154 NaA2 0.00000 0.47240 0.00000 0.18000 0.03217 KA2 0.00000 0.47240 0.00000 0.01000 0.03217 CaM4B 0.00000 0.27360 0.50000 0.60500 0.01672 MnM4B 0.00000 0.27360 0.50000 0.34800 0.01672 CaM4*B 0.00000 0.25240 0.50000 0.03000 0.01279 MnM4*B 0.00000 0.25240 0.50000 0.01700 0.01279 MgM1 0.00000 0.08800 0.50000 0.93000 0.00671 Mn2+M1 0.00000 0.08800 0.50000 0.06000 0.00671 Fe2+M1 0.00000 0.08800 0.50000 0.01000 0.00671 MgM2 0.00000 0.17660 0.00000 0.89500 0.00697 Mn2+M2 0.00000 0.17660 0.00000 0.07500 0.00697 Fe3+M2 0.00000 0.17660 0.00000 0.01500 0.00697 Ti4+M2 0.00000 0.17660 0.00000 0.00500 0.00697 AlM2 0.00000 0.17660 0.00000 0.00500 0.00697 Fe2+M2 0.00000 0.17660 0.00000 0.00500 0.00697 MgM3 0.00000 0.00000 0.00000 0.86000 0.00697 AlM3 0.00000 0.00000 0.00000 0.05500 0.00697 Fe2+M3 0.00000 0.00000 0.00000 0.01000 0.00697 Mn2+M3 0.00000 0.00000 0.00000 0.00500 0.00697 SiT1 0.28150 0.08450 0.29600 0.77000 0.00633 AlT1 0.28150 0.08450 0.29600 0.23000 0.00633 SiT2 0.29110 0.17130 0.80320 1.00000 0.00646 O1 0.11050 0.08600 0.21750 1.00000 0.00798 O2 0.12060 0.17230 0.72520 1.00000 0.00811 O3 0.10910 0.00000 0.71560 1.00000 0.00849 O4 0.36880 0.24780 0.78270 1.00000 0.01254 O5 0.34830 0.13690 0.10000 1.00000 0.01305 O6 0.34490 0.11530 0.59670 1.00000 0.01368 O7 0.34100 0.00000 0.27490 1.00000 0.01343 H 0.18800 0.00000 0.75900 1.00000 0.01722 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 0.01008 0.01485 0.00795 0.00000 0.00025 0.00000 NaAm 0.03116 0.03301 0.03088 0.00000 0.00838 0.00000 NaA2 0.02979 0.01815 0.06348 0.00000 0.03968 0.00000 KA2 0.02979 0.01815 0.06348 0.00000 0.03968 0.00000 CaM4B 0.01283 0.02310 0.01670 0.00000 0.00838 0.00000 MnM4B 0.01283 0.02310 0.01670 0.00000 0.00838 0.00000 MgM1 0.00733 0.00495 0.00861 0.00000 0.00173 0.00000 Mn2+M1 0.00733 0.00495 0.00861 0.00000 0.00173 0.00000 Fe2+M1 0.00733 0.00495 0.00861 0.00000 0.00173 0.00000 MgM2 0.00642 0.00495 0.00928 0.00000 0.00173 0.00000 Mn2+M2 0.00642 0.00495 0.00928 0.00000 0.00173 0.00000 Fe3+M2 0.00642 0.00495 0.00928 0.00000 0.00173 0.00000 Ti4+M2 0.00642 0.00495 0.00928 0.00000 0.00173 0.00000 AlM2 0.00642 0.00495 0.00928 0.00000 0.00173 0.00000 Fe2+M2 0.00642 0.00495 0.00928 0.00000 0.00173 0.00000 MgM3 0.00642 0.00495 0.00901 0.00000 0.00099 0.00000 AlM3 0.00642 0.00495 0.00901 0.00000 0.00099 0.00000 Fe2+M3 0.00642 0.00495 0.00901 0.00000 0.00099 0.00000 Mn2+M3 0.00642 0.00495 0.00901 0.00000 0.00099 0.00000 SiT1 0.00458 0.00495 0.00888 -0.00087 0.00049 -0.00047 AlT1 0.00458 0.00495 0.00888 -0.00087 0.00049 -0.00047 SiT2 0.00504 0.00495 0.00875 -0.00087 0.00049 0.00047 O1 0.00642 0.00660 0.01020 0.00000 0.00049 0.00000 O2 0.00596 0.00660 0.01113 0.00000 0.00123 0.00047 O3 0.00596 0.00660 0.01206 0.00000 0.00074 0.00000 O4 0.01237 0.00825 0.01524 -0.00435 0.00025 0.00094 O5 0.00779 0.01650 0.01418 0.00000 0.00123 0.00701 O6 0.00733 0.01650 0.01643 0.00174 0.00173 -0.00608 O7 0.00962 0.00990 0.02134 0.00000 0.00222 0.00000