data_global _chemical_name_mineral 'Pyrophyllite' loop_ _publ_author_name 'Lee J H' 'Guggenheim S' _journal_name_full 'American Mineralogist' _journal_volume 66 _journal_year 1981 _journal_page_first 350 _journal_page_last 357 _publ_section_title ; Single crystal X-ray refinement of pyrophyllite-1Tc ; _database_code_amcsd 0000823 _chemical_formula_sum 'Al Si2 O6 H' _cell_length_a 5.160 _cell_length_b 8.966 _cell_length_c 9.347 _cell_angle_alpha 91.18 _cell_angle_beta 100.46 _cell_angle_gamma 89.64 _cell_volume 425.157 _exptl_crystal_density_diffrn 2.815 _symmetry_space_group_name_H-M 'C -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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al 0.49950 0.16705 -0.00008 Si1 0.74490 -0.00303 0.29169 Si2 0.75950 0.32577 0.29230 O1 0.64950 0.00180 0.11550 O2 0.73140 0.30790 0.11580 O-H 0.22630 0.19270 0.10810 Ob1 0.04980 0.38910 0.35890 Ob2 0.72510 0.16370 0.35840 Ob3 0.54520 0.44260 0.33250 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 Al 0.00691 0.00672 0.01275 -0.00115 0.00142 -0.00025 Si1 0.00744 0.00651 0.01236 -0.00207 0.00142 0.00004 Si2 0.00744 0.00659 0.01322 -0.00184 0.00213 -0.00033 O1 0.01070 0.00936 0.01326 -0.00092 0.00047 -0.00042 O2 0.00887 0.01058 0.01284 -0.00184 0.00142 -0.00083 O-H 0.01044 0.01181 0.01626 0.00115 0.00283 0.00209 Ob1 0.01017 0.01099 0.01669 -0.00484 0.00142 0.00083 Ob2 0.01474 0.00692 0.01669 -0.00184 0.00402 -0.00042 Ob3 0.00796 0.01262 0.01797 0.00046 0.00165 -0.00292