data_global _chemical_name_mineral 'Timroseite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' 'Housley R M' 'Marty J' 'Thorne B' _journal_name_full 'American Mineralogist' _journal_volume 95 _journal_year 2010 _journal_page_first 1560 _journal_page_last 1568 _publ_section_title ; Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets ; _database_code_amcsd 0017721 _chemical_compound_source 'Otto Mountain, Baker, California' _chemical_formula_sum 'Pb2.04 Cu5 Te2 O14 H2' _cell_length_a 5.2000 _cell_length_b 9.6225 _cell_length_c 11.5340 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 577.127 _exptl_crystal_density_diffrn 7.030 _symmetry_space_group_name_H-M 'P 21 n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' 'x,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_occupancy _atom_site_U_iso_or_equiv Pb1 0.12300 0.03560 0.00000 0.94000 0.02290 Pb1a 0.12500 0.07700 0.00000 0.09000 0.06000 Pb2 0.38200 0.38682 0.50000 0.84000 0.02080 Pb2a 0.27900 0.39600 0.50000 0.17000 0.06200 Cu1 0.66940 0.89920 0.18488 1.00000 0.01460 Cu2 0.72040 0.59878 0.32206 1.00000 0.01550 Cu3 0.13040 0.71440 0.50000 1.00000 0.02220 Te 0.20050 0.74917 0.24990 1.00000 0.01220 O1 0.38170 0.67470 0.38170 1.00000 0.01600 O2 0.00130 0.82590 0.12360 1.00000 0.01430 O3 0.35330 0.93090 0.27880 1.00000 0.01890 O4 0.91920 0.77160 0.36120 1.00000 0.01350 O5 0.03650 0.57180 0.21780 1.00000 0.01600 O6 0.50440 0.71730 0.15870 1.00000 0.01800 O-H1 0.53000 0.94730 0.00000 1.00000 0.02100 O-H2 0.79800 0.50660 0.50000 1.00000 0.02400 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 0.01980 0.02130 0.02770 0.00410 0.00000 0.00000 Pb1a 0.11000 0.03700 0.03500 0.03200 0.00000 0.00000 Pb2 0.01700 0.01780 0.02770 0.00130 0.00000 0.00000 Pb2a 0.07000 0.07500 0.04500 -0.01800 0.00000 0.00000 Cu1 0.01310 0.00930 0.02140 0.00030 0.00170 -0.00210 Cu2 0.01360 0.01080 0.02200 -0.00260 0.00360 -0.00220 Cu3 0.01940 0.02670 0.02040 0.00260 0.00000 0.00000 Te 0.01090 0.00920 0.01650 -0.00040 0.00010 0.00030 O1 0.00600 0.02100 0.02100 0.00900 0.00400 0.00100 O2 0.01500 0.01400 0.01400 -0.00500 -0.00500 0.00600 O3 0.02100 0.01000 0.02500 -0.00400 -0.00500 -0.00200 O4 0.01000 0.01400 0.01600 -0.00600 -0.00300 0.00200 O5 0.01100 0.00600 0.03100 0.00500 0.00800 -0.00100 O6 0.02200 0.00500 0.02600 -0.00500 0.00700 -0.00900 O-H1 0.01700 0.02300 0.02300 0.00200 0.00000 0.00000 O-H2 0.01000 0.04000 0.02200 0.00300 0.00000 0.00000