data_global _chemical_name_mineral 'Chalcosiderite' loop_ _publ_author_name 'Giuseppetti G' 'Mazzi F' 'Tadini C' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1989 _journal_year 1989 _journal_page_first 227 _journal_page_last 239 _publ_section_title ; The crystal structure of chalcosiderite, CuFe3+6(PO4)4(OH)8*4H2O ; _database_code_amcsd 0014837 _chemical_compound_source 'Wheal Phoenix Mine, Cornwall, England' _chemical_formula_sum 'Cu (Fe5.46 Al.54) P4 O28 H16' _cell_length_a 7.653 _cell_length_b 7.873 _cell_length_c 10.190 _cell_angle_alpha 67.57 _cell_angle_beta 69.17 _cell_angle_gamma 64.93 _cell_volume 500.076 _exptl_crystal_density_diffrn 3.224 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Cu 0.00000 0.00000 0.00000 1.00000 0.01330 Fe1 0.28630 0.18220 0.75300 0.88000 0.00912 Al1 0.28630 0.18220 0.75300 0.12000 0.00912 Fe2 0.75600 0.18730 0.27430 0.88000 0.00874 Al2 0.75600 0.18730 0.27430 0.12000 0.00874 Fe3 0.24440 0.50320 0.24330 0.97000 0.00937 Al3 0.24440 0.50320 0.24330 0.03000 0.00937 P1 0.35000 0.38230 0.94820 1.00000 0.00937 P2 0.84330 0.38070 0.46210 1.00000 0.00925 O1 0.06080 0.36350 0.39130 1.00000 0.01431 O2 0.80630 0.33610 0.62840 1.00000 0.01279 O3 0.27540 0.34860 0.11440 1.00000 0.01305 O4 0.07150 0.06190 0.19390 1.00000 0.01887 O5 0.23300 0.08150 0.62600 1.00000 0.01418 O6 0.73930 0.08630 0.11840 1.00000 0.01229 O7 0.29530 0.41540 0.60000 1.00000 0.01444 O8 0.33200 0.22150 0.91040 1.00000 0.01570 O9 0.98590 0.27430 0.85640 1.00000 0.01330 O10 0.58300 0.04370 0.68290 1.00000 0.01798 O11 0.78380 0.41880 0.12550 1.00000 0.01456 O12 0.46400 0.29070 0.33310 1.00000 0.01431 O13 0.79440 0.22510 0.43770 1.00000 0.01317 O14 0.56900 0.36810 0.90480 1.00000 0.01279 H1 0.15700 -0.07500 0.23900 1.00000 0.03800 H2 0.13400 0.11400 0.21000 1.00000 0.13932 H3 0.64100 0.09700 0.60400 1.00000 0.05066 H4 0.59800 -0.05700 0.67700 1.00000 0.06333 H5 0.16200 0.16000 0.54400 1.00000 0.08866 H6 0.65200 0.17500 0.05000 1.00000 0.03800 H7 0.98300 0.32300 0.91500 1.00000 0.05066 H8 0.44900 0.28100 0.41700 1.00000 0.11399 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 Cu 0.01198 0.01192 0.01148 -0.00375 0.00157 -0.00287 Fe1 0.01152 0.00787 0.00978 -0.00398 -0.00250 -0.00350 Al1 0.01152 0.00787 0.00978 -0.00398 -0.00250 -0.00350 Fe2 0.01060 0.00739 0.00978 -0.00328 -0.00219 -0.00382 Al2 0.01060 0.00739 0.00978 -0.00328 -0.00219 -0.00382 Fe3 0.01014 0.00882 0.00936 -0.00352 -0.00125 -0.00350 Al3 0.01014 0.00882 0.00936 -0.00352 -0.00125 -0.00350 P1 0.01060 0.00930 0.00936 -0.00422 -0.00157 -0.00287 P2 0.01083 0.00906 0.00851 -0.00445 -0.00125 -0.00287 O1 0.00968 0.01860 0.01361 -0.00680 0.00250 -0.00573 O2 0.01544 0.01479 0.00893 -0.00609 -0.00094 -0.00446 O3 0.01590 0.01431 0.00851 -0.00680 0.00157 -0.00478 O4 0.01590 0.02051 0.01957 -0.00680 -0.00470 -0.00382 O5 0.01889 0.01216 0.01489 -0.00680 -0.00689 -0.00287 O6 0.01221 0.01145 0.01319 -0.00328 -0.00188 -0.00510 O7 0.01521 0.01145 0.01361 -0.00398 -0.00282 -0.00096 O8 0.02235 0.01312 0.01531 -0.00703 -0.00689 -0.00446 O9 0.01313 0.01121 0.01489 -0.00352 -0.00188 -0.00478 O10 0.01866 0.01455 0.01829 -0.00727 -0.00094 -0.00350 O11 0.01382 0.01025 0.01616 -0.00305 -0.00501 0.00000 O12 0.01359 0.01431 0.01319 -0.00445 -0.00188 -0.00287 O13 0.01935 0.01169 0.01234 -0.00797 -0.00407 -0.00318 O14 0.00991 0.01622 0.01191 -0.00633 -0.00031 -0.00318