data_global _chemical_name_mineral 'Khinite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' 'Back M E' _journal_name_full 'Mineralogical Magazine' _journal_volume 72 _journal_year 2008 _journal_page_first 763 _journal_page_last 770 _publ_section_title ; The crystal structure of khinite and polytypism in khinite and parakhinite ; _database_code_amcsd 0014583 _chemical_compound_source 'the Empire mine, Tombstone, Arizona, USA' _chemical_formula_sum 'Pb Te Cu3 (O8 H2)' _cell_length_a 5.7491 _cell_length_b 10.0176 _cell_length_c 24.022 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1383.479 _exptl_crystal_density_diffrn 6.294 _symmetry_space_group_name_H-M 'F d d 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '1/4+x,1/4-y,1/4+z' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4-x,1/4+y,1/4+z' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '-x,1/2-y,1/2+z' '-x,-y,+z' '1/2-x,1/2-y,+z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb 0.25000 0.25000 0.14110 0.01294 Te 0.50000 0.00000 0.23761 0.00720 Cu(1) 0.00000 0.00000 0.29395 0.00820 Cu(2) 0.25000 0.25000 0.29509 0.00520 Cu(3) 0.75000 0.25000 0.23861 0.00890 O-H(1) 0.15300 0.11580 0.34660 0.01000 O(2) 0.61500 0.12660 0.18340 0.00900 O(3) 0.20020 0.10070 0.24010 0.00900 O(4) 0.62780 0.12210 0.29310 0.01200 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 Pb 0.01400 0.01000 0.01480 -0.00090 0.00000 0.00000 Te 0.01300 0.00070 0.00790 -0.00180 0.00000 0.00000 Cu(1) 0.00670 0.00590 0.01190 -0.00310 0.00000 0.00000 Cu(2) 0.00330 0.00440 0.00790 -0.00020 0.00000 0.00000 Cu(3) 0.01490 0.00310 0.00880 -0.00430 0.00000 0.00000