data_global _chemical_name_mineral 'Iranite' loop_ _publ_author_name 'Yang H' 'Sano J L' 'Eichler C' 'Downs R T' 'Costin G' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 63 _journal_year 2007 _journal_page_first i122 _journal_page_last i124 _publ_section_title ; Iranite, CuPb10(CrO4)6(SiO4)2(OH)2, isomorphous with hemihedrite ; _database_code_amcsd 0010340 _chemical_compound_source 'Chapacase mine, Sierra Cerillos district, Tocopilla, Chile' _chemical_formula_sum 'Cu Pb10 Cr6 Si2 O34 H2' _cell_length_a 9.5416 _cell_length_b 11.3992 _cell_length_c 10.7465 _cell_angle_alpha 120.472 _cell_angle_beta 92.470 _cell_angle_gamma 55.531 _cell_volume 780.079 _exptl_crystal_density_diffrn 6.492 _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_U_iso_or_equiv Cu 0.00000 0.50000 0.00000 0.00730 Pb1 0.25932 0.10817 0.26084 0.01674 Pb2 0.26267 0.08803 0.65782 0.01224 Pb3 0.92955 0.24266 0.02886 0.01330 Pb4 0.73129 0.41520 0.74861 0.01951 Pb5 0.31800 0.45125 0.53230 0.01563 Cr1 0.95691 0.07568 0.35431 0.01290 Cr2 0.56240 0.17381 0.15417 0.00850 Cr3 0.45357 0.32313 0.83512 0.00940 Si 0.02380 0.45300 0.66184 0.00160 O1 0.75260 0.22580 0.47930 0.02730 O2 0.10160 0.07910 0.44000 0.02410 O3 0.99600 0.11910 0.73730 0.01790 O4 0.97110 0.11130 0.22860 0.02760 O5 0.50940 0.13590 0.26930 0.01570 O6 0.42740 0.20110 0.05500 0.02390 O7 0.77030 0.00990 0.03280 0.01660 O8 0.53510 0.35640 0.26800 0.01930 O9 0.60890 0.28550 0.91270 0.02390 O10 0.46360 0.39610 0.74130 0.02550 O11 0.24940 0.48230 0.97290 0.01590 O12 0.48310 0.13760 0.71780 0.01650 O13 0.21110 0.30110 0.51350 0.01290 O14 0.03850 0.39270 0.77550 0.01040 O15 0.98980 0.37290 0.25770 0.01480 O16 0.84910 0.47980 0.61380 0.01460 O-H 0.13900 0.25940 0.93610 0.00970 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 0.00940 0.00510 0.00610 -0.00420 -0.00250 0.00300 Pb1 0.01577 0.01461 0.01353 -0.00899 -0.00408 0.00552 Pb2 0.01004 0.01029 0.01122 -0.00534 -0.00213 0.00470 Pb3 0.01343 0.01210 0.01257 -0.00789 -0.00281 0.00636 Pb4 0.02207 0.02192 0.02042 -0.01419 -0.01093 0.01546 Pb5 0.01874 0.02070 0.01581 -0.01476 -0.01030 0.01279 Cr1 0.01370 0.01330 0.01160 -0.01010 -0.00420 0.00540 Cr2 0.00700 0.00620 0.00770 -0.00240 -0.00090 0.00360 Cr3 0.00850 0.00960 0.01070 -0.00590 -0.00350 0.00610 Si 0.00250 0.00260 0.00220 -0.00100 -0.00110 0.00180 O1 0.02100 0.02100 0.02300 -0.01400 0.00100 0.00300 O2 0.02900 0.02600 0.02700 -0.02200 -0.02200 0.01600 O3 0.01900 0.01700 0.01500 -0.01400 -0.00400 0.00500 O4 0.03000 0.03800 0.03700 -0.02500 -0.01700 0.03100 O5 0.01600 0.01600 0.01600 -0.01000 -0.00300 0.01000 O6 0.02100 0.03100 0.01900 -0.01600 -0.01200 0.01500 O7 0.01100 0.01300 0.01400 -0.00100 0.00200 0.00700 O8 0.01900 0.01700 0.02600 -0.01200 -0.00800 0.01400 O9 0.01800 0.02800 0.02700 -0.01300 -0.01600 0.01900 O10 0.03700 0.03300 0.02700 -0.02700 -0.01300 0.02200 O11 0.01400 0.01000 0.01400 -0.00500 0.00000 0.00400 O12 0.01200 0.01200 0.02000 -0.00800 -0.00600 0.00600 O13 0.01000 0.01100 0.01000 -0.00600 0.00100 0.00300 O14 0.01300 0.00800 0.00600 -0.00400 -0.00090 0.00500 O15 0.02400 0.01200 0.01100 -0.01200 -0.00500 0.00700 O16 0.01600 0.01600 0.01700 -0.00900 -0.01000 0.01300 O-H 0.01200 0.00500 0.00700 -0.00400 -0.00030 0.00220