data_global _chemical_name_mineral 'Arfvedsonite' loop_ _publ_author_name 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 14 _journal_year 1976 _journal_page_first 346 _journal_page_last 356 _publ_section_title ; The crystal chemistry of the amphiboles: V. The structure and chemistry of arfvedsonite ; _database_code_amcsd 0005126 _chemical_formula_sum 'Si7.84 Al.306 Fe4.52 Ti.094 Mn.13 Mg.11 Na2.428 Ca.158 K1.414 O24 H2' _cell_length_a 10.007 _cell_length_b 18.077 _cell_length_c 5.332 _cell_angle_alpha 90 _cell_angle_beta 104.101 _cell_angle_gamma 90 _cell_volume 935.477 _exptl_crystal_density_diffrn 3.545 _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 0.27380 0.08618 0.29170 0.96000 ? AlT1 0.27380 0.08618 0.29170 0.04000 ? SiT2 0.28640 0.17104 0.80180 1.00000 ? FeM1 0.00000 0.09205 0.50000 1.00000 ? FeM2 0.00000 0.18443 0.00000 0.88000 ? AlM2 0.00000 0.18443 0.00000 0.07300 ? TiM2 0.00000 0.18443 0.00000 0.04700 ? FeM3 0.00000 0.00000 0.00000 0.76000 ? MnM3 0.00000 0.00000 0.00000 0.13000 ? MgM3 0.00000 0.00000 0.00000 0.11000 ? NaM4 0.00000 0.27790 0.50000 0.92100 ? CaM4 0.00000 0.27790 0.50000 0.07900 ? NaAm 0.01720 0.50000 0.04020 0.29300 0.01621 KAm 0.01720 0.50000 0.04020 0.70700 0.01621 O1 0.10960 0.09140 0.20820 1.00000 ? O2 0.12010 0.17310 0.73320 1.00000 ? O-H3 0.10740 0.00000 0.70670 1.00000 ? O4 0.36430 0.24730 0.79840 1.00000 ? O5 0.34400 0.12730 0.08270 1.00000 ? O6 0.33630 0.11720 0.58410 1.00000 ? O7 0.32620 0.00000 0.29880 1.00000 ? 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 SiT1 0.00692 0.00579 0.00507 -0.00027 0.00201 0.00062 AlT1 0.00692 0.00579 0.00507 -0.00027 0.00201 0.00062 SiT2 0.00773 0.00596 0.00497 -0.00089 0.00201 0.00000 FeM1 0.01002 0.00861 0.00688 0.00000 0.00325 0.00000 FeM2 0.00897 0.00695 0.00740 0.00000 0.00224 0.00000 AlM2 0.00897 0.00695 0.00740 0.00000 0.00224 0.00000 TiM2 0.00897 0.00695 0.00740 0.00000 0.00224 0.00000 FeM3 0.01102 0.00695 0.00679 0.00000 0.00221 0.00000 MnM3 0.01102 0.00695 0.00679 0.00000 0.00221 0.00000 MgM3 0.01102 0.00695 0.00679 0.00000 0.00221 0.00000 NaM4 0.01823 0.01424 0.01717 0.00000 0.01045 0.00000 CaM4 0.01823 0.01424 0.01717 0.00000 0.01045 0.00000 O1 0.00697 0.01208 0.00828 0.00018 0.00211 -0.00052 O2 0.01212 0.01043 0.01123 0.00071 0.00257 0.00128 O-H3 0.00964 0.01043 0.00793 0.00000 0.00201 0.00000 O4 0.01613 0.00960 0.01012 -0.00400 0.00567 -0.00076 O5 0.00988 0.01159 0.00826 -0.00027 0.00529 0.00365 O6 0.01398 0.01076 0.00633 0.00027 0.00244 -0.00369 O7 0.01484 0.00546 0.01681 0.00000 0.00577 0.00000