data_global _chemical_name_mineral 'Mimetite' loop_ _publ_author_name 'Okudera H' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 1573 _journal_page_last 1579 _publ_section_title ; Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite) ; _database_code_amcsd 0020251 _chemical_compound_source 'Pingtouling mine, Guangdong, China' _chemical_formula_sum 'Pb5 As2.775 P.036 O12 Cl' _cell_length_a 10.2396 _cell_length_b 10.2396 _cell_length_c 7.4405 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 675.614 _exptl_crystal_density_diffrn 7.238 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-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 Pb1 0.33333 0.66667 0.00676 0.99900 0.01900 Pb2 0.25078 0.00402 0.25000 0.99900 0.02200 As 0.40911 0.38452 0.25000 0.92500 0.01100 P 0.40911 0.38452 0.25000 0.01200 0.01100 O1 0.32930 0.49400 0.25000 1.00000 0.02000 O2 0.59860 0.48660 0.25000 1.00000 0.04200 O3 0.36170 0.27210 0.06980 1.00000 0.06100 Cl 0.00000 0.00000 0.00000 1.00000 0.02400 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 Pb1 0.02135 0.02135 0.01378 0.01067 0.00000 0.00000 Pb2 0.01208 0.01499 0.04020 0.00697 0.00000 0.00000 As 0.00937 0.00836 0.01448 0.00456 0.00000 0.00000 P 0.00937 0.00836 0.01448 0.00456 0.00000 0.00000 O1 0.02741 0.01786 0.02554 0.01946 0.00000 0.00000 O2 0.01147 0.01104 0.09705 0.00104 0.00000 0.00000 O3 0.08878 0.08173 0.05393 0.07466 -0.05603 -0.05587 Cl 0.02531 0.02531 0.02231 0.01266 0.00000 0.00000