data_global _chemical_name_mineral 'Tedhadleyite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'Mineralogical Magazine' _journal_volume 73 _journal_year 2009 _journal_page_first 227 _journal_page_last 234 _publ_section_title ; The crystal structure of tedhadleyite, Hg2+Hg1+10O4I2(Cl,Br)2. from the Clear Creek Claim, San Benito County, California ; _database_code_amcsd 0014591 _chemical_compound_source 'the Clear Creek Claim, San Benito County, California' _chemical_formula_sum 'Hg11 O4 I2 (Cl1.19 Br.81)' _cell_length_a 7.0147 _cell_length_b 11.8508 _cell_length_c 12.5985 _cell_angle_alpha 115.583 _cell_angle_beta 82.575 _cell_angle_gamma 100.619 _cell_volume 926.998 _exptl_crystal_density_diffrn 9.427 _symmetry_space_group_name_H-M 'A -1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '-x,-y,-z' '-x,1/2-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 Hg1 0.00000 0.50000 0.00000 1.00000 0.02350 Hg2 0.63055 0.67337 0.47594 1.00000 0.02616 Hg3 0.87144 0.64468 0.30156 1.00000 0.02875 Hg4 0.54443 0.60364 0.72377 1.00000 0.02892 Hg5 0.70164 0.47617 0.79600 1.00000 0.03830 Hg6 0.14552 0.57424 0.55608 1.00000 0.03332 O1 0.09500 0.61660 0.16430 1.00000 0.02200 O2 0.42500 0.67250 0.61580 1.00000 0.02000 I 0.34154 0.82199 0.41700 1.00000 0.03040 Cl 0.89100 0.83070 0.67250 0.59500 0.04110 Br 0.89100 0.83070 0.67250 0.40500 0.04110 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 Hg1 0.02730 0.02560 0.01660 0.00860 -0.00210 0.00580 Hg2 0.02930 0.02720 0.02090 0.00580 0.00470 0.01010 Hg3 0.03300 0.02930 0.02280 0.00590 0.00720 0.01160 Hg4 0.03840 0.02490 0.02680 0.01090 -0.00810 0.00980 Hg5 0.04670 0.04360 0.03360 0.02220 -0.00860 0.01680 Hg6 0.02550 0.03440 0.03920 -0.00340 -0.01410 0.01430 O1 0.01800 0.02900 0.02700 0.00800 0.00300 0.01900 O2 0.02700 0.01600 0.01900 0.00100 -0.00100 0.01000 I 0.03200 0.03290 0.02420 0.01450 -0.00400 0.00550 Cl 0.03790 0.04300 0.02660 -0.01000 -0.00080 0.00650 Br 0.03790 0.04300 0.02660 -0.01000 -0.00080 0.00650