data_global _chemical_name_mineral 'Cornetite' loop_ _publ_author_name 'Eby R K' 'Hawthorne F C' _journal_name_full 'Mineralogy and Petrology' _journal_volume 40 _journal_year 1989 _journal_page_first 127 _journal_page_last 136 _publ_section_title ; Cornetite: modulated densely-packed Cu2+ oxysalt ; _database_code_amcsd 0014624 _chemical_compound_source 'Mine de L'Etoile, Katanga, Zaire' _chemical_formula_sum 'Cu3 P O7 H3' _cell_length_a 10.854 _cell_length_b 14.053 _cell_length_c 7.086 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1080.837 _exptl_crystal_density_diffrn 4.137 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu1 0.01900 0.12739 0.18760 Cu2 0.19409 0.24645 0.40293 Cu3 0.10041 0.45217 0.10920 P 0.38000 0.38640 0.20700 O1 0.26900 0.41010 0.08570 O2 0.92110 0.47260 0.17540 O3 0.48960 0.35960 0.08120 O4 0.34990 0.30340 0.34150 O-H1 0.05640 0.33900 0.95510 O-H2 0.18220 0.18760 0.14700 O-H3 0.13430 0.56790 0.24500 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 Cu1 0.01020 0.01660 0.01120 0.00100 -0.00070 -0.00290 Cu2 0.01150 0.01580 0.01100 -0.00080 0.00140 -0.00380 Cu3 0.00950 0.01280 0.01400 -0.00220 0.00000 0.00080 P 0.00950 0.01490 0.00980 -0.00090 0.00060 -0.00080 O1 0.00790 0.02430 0.01650 -0.00110 -0.00100 0.00170 O2 0.01210 0.01270 0.01520 0.00330 -0.00060 0.00080 O3 0.01030 0.02490 0.01310 0.00130 0.00270 0.00190 O4 0.01570 0.01730 0.01150 0.00130 -0.00050 -0.00520 O-H1 0.01100 0.01100 0.01000 -0.00220 0.00040 0.00170 O-H2 0.01390 0.01450 0.00950 0.00050 -0.00230 -0.00210 O-H3 0.01180 0.01310 0.01480 -0.00350 0.00100 0.00200