data_global _chemical_name_mineral 'Agaite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' 'Housley R M' 'Marty J' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 512 _journal_page_last 517 _publ_section_title ; Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX. Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets ; _database_code_amcsd 0019782 _chemical_compound_source 'Otto Mountain near Baker, California, USA' _chemical_formula_sum 'Pb3 Cu Te C O10 H2' _cell_length_a 10.6522 _cell_length_b 9.1630 _cell_length_c 9.6011 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 937.126 _exptl_crystal_density_diffrn 6.994 _symmetry_space_group_name_H-M 'P c a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,1/2+z' '-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 Pb1 0.38350 0.73371 0.57261 0.01575 Pb2 0.80327 0.71021 0.56008 0.01820 Pb3 0.61180 0.03814 0.42405 0.02222 Cu 0.60759 0.43910 0.40337 0.01280 Te 0.37010 0.52602 0.26536 0.01030 C 0.35970 0.01820 0.28500 0.02200 O1 0.36050 0.02680 0.41470 0.02700 O2 0.25450 0.02120 0.21570 0.02800 O3 0.46550 0.00420 0.21400 0.03300 O4 0.25380 0.66770 0.32930 0.01400 O5 0.25790 0.37160 0.30930 0.01900 O6 0.69330 0.48030 0.57820 0.01500 O7 0.51360 0.40120 0.23380 0.01210 O8 0.44610 0.52750 0.44920 0.01600 O-H9 0.48100 0.69110 0.20880 0.02000 O-H10 0.59380 0.80100 0.47120 0.02000 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 0.01700 0.01740 0.01290 0.00409 -0.00110 0.00080 Pb2 0.01480 0.02100 0.01880 -0.00200 0.00040 0.00140 Pb3 0.02010 0.01740 0.02920 -0.00060 0.00050 -0.00030 Cu 0.01050 0.01870 0.00930 0.00200 -0.00040 -0.00100 Te 0.00890 0.01500 0.00710 0.00090 -0.00030 -0.00010 C 0.01300 0.01500 0.03600 0.00200 -0.00200 -0.00800 O1 0.02000 0.03900 0.02200 0.00400 0.01100 -0.00100 O2 0.02200 0.03000 0.03200 -0.00900 -0.00800 0.01000 O3 0.02300 0.04600 0.02900 0.01800 0.00500 0.00600 O4 0.01100 0.01500 0.01600 -0.00400 -0.00400 -0.00500 O5 0.02000 0.03000 0.00900 -0.01300 0.00200 0.00500 O6 0.00800 0.02800 0.00800 0.00000 0.00600 -0.00200 O7 0.01500 0.01100 0.01100 0.00300 0.00000 0.00100 O8 0.01300 0.02300 0.01100 -0.00100 0.00000 0.00000 O-H9 0.01300 0.02900 0.01800 -0.00500 0.01400 0.00300 O-H10 0.00700 0.02800 0.02500 -0.00500 -0.00100 -0.00500