data_global _chemical_name_mineral 'Muscovite' loop_ _publ_author_name 'Brigatti M F' 'Galli E' 'Medici L' 'Poppi L' 'Cibin G' 'Marcelli A' 'Mottana A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 13 _journal_year 2001 _journal_page_first 377 _journal_page_last 389 _publ_section_title ; Chromium-containing muscovite: crystal chemistry and XANES spectroscopy ; _database_code_amcsd 0006860 _chemical_compound_source 'Northwest Nelson - Anatoki River' _chemical_formula_sum 'O11.958 F.041 Cl.001 Si3.135 Al2.691 Ti.033 Fe.102 Cr.108 Mg.11 (Ba.012 Na.029 K.959) H1.456' _cell_length_a 5.206 _cell_length_b 9.040 _cell_length_c 20.058 _cell_angle_alpha 90 _cell_angle_beta 95.79 _cell_angle_gamma 90 _cell_volume 939.159 _exptl_crystal_density_diffrn 2.897 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 O11 0.74900 0.31260 0.15900 1.00000 0.02026 O21 0.24650 0.36730 0.16880 1.00000 0.01684 O22 0.42040 0.09110 0.16860 1.00000 0.01963 O31 0.38610 0.25150 0.05360 1.00000 0.01608 O32 0.96140 0.44160 0.05380 1.00000 0.01330 O4 0.95660 0.06190 0.05040 0.25100 0.01507 O-H4 0.95660 0.06190 0.05040 0.72800 0.01507 F4 0.95660 0.06190 0.05040 0.02050 0.01507 Cl4 0.95660 0.06190 0.05040 0.00050 0.01507 SiT1 0.45200 0.25870 0.13564 0.78380 0.01165 AlT1 0.45200 0.25870 0.13564 0.21620 0.01165 SiT2 0.96530 0.43054 0.13556 0.78380 0.01064 AlT2 0.96530 0.43054 0.13556 0.21620 0.01064 AlM1 0.75000 0.25000 0.00000 0.91300 0.02571 TiM1 0.75000 0.25000 0.00000 0.01650 0.02571 FeM1 0.75000 0.25000 0.00000 0.05100 0.02571 CrM1 0.75000 0.25000 0.00000 0.05400 0.02571 MgM1 0.75000 0.25000 0.00000 0.05500 0.02571 MnM1 0.75000 0.25000 0.00000 0.00050 0.02571 AlM2 0.24940 0.08360 0.00008 0.45650 0.01393 TiM2 0.24940 0.08360 0.00008 0.00830 0.01393 FeM2 0.24940 0.08360 0.00008 0.02550 0.01393 CrM2 0.24940 0.08360 0.00008 0.02700 0.01393 MgM2 0.24940 0.08360 0.00008 0.02750 0.01393 MnM2 0.24940 0.08360 0.00008 0.00020 0.01393 BaA 0.00000 0.09770 0.25000 0.01200 0.02824 NaA 0.00000 0.09770 0.25000 0.02900 0.02824 KA 0.00000 0.09770 0.25000 0.95900 0.02824 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 O11 0.01359 0.01822 0.02824 -0.00095 0.00000 0.00000 O21 0.01400 0.02153 0.01614 0.00522 0.00262 -0.00091 O22 0.01998 0.01739 0.02219 0.00213 0.00471 -0.00183 O31 0.01549 0.01780 0.01412 0.00142 0.00000 0.00091 O32 0.01373 0.01118 0.01412 0.00095 0.00105 -0.00091 O4 0.01373 0.01118 0.02017 0.00190 0.00367 0.00000 O-H4 0.01373 0.01118 0.02017 0.00190 0.00367 0.00000 F4 0.01373 0.01118 0.02017 0.00190 0.00367 0.00000 Cl4 0.01373 0.01118 0.02017 0.00190 0.00367 0.00000 SiT1 0.01033 0.01159 0.01210 0.00071 0.00105 0.00000 AlT1 0.01033 0.01159 0.01210 0.00071 0.00105 0.00000 SiT2 0.01060 0.00787 0.01412 0.00000 0.00105 0.00091 AlT2 0.01060 0.00787 0.01412 0.00000 0.00105 0.00091 AlM2 0.01359 0.01118 0.01614 0.00024 0.00052 0.00091 TiM2 0.01359 0.01118 0.01614 0.00024 0.00052 0.00091 FeM2 0.01359 0.01118 0.01614 0.00024 0.00052 0.00091 CrM2 0.01359 0.01118 0.01614 0.00024 0.00052 0.00091 MgM2 0.01359 0.01118 0.01614 0.00024 0.00052 0.00091 MnM2 0.01359 0.01118 0.01614 0.00024 0.00052 0.00091 BaA 0.02487 0.02815 0.03228 0.00000 0.00262 0.00000 NaA 0.02487 0.02815 0.03228 0.00000 0.00262 0.00000 KA 0.02487 0.02815 0.03228 0.00000 0.00262 0.00000