data_global _chemical_name_mineral 'Carmichaelite' loop_ _publ_author_name 'Wang L' 'Rouse R C' 'Essene E J' 'Peacor D R' 'Zhang Y' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 792 _journal_page_last 800 _publ_section_title ; Carmichaelite, a new hydroxyl-bearing titanate from Garnet Ridge, Arizona ; _database_code_amcsd 0002458 _chemical_formula_sum 'Ti6.83 V.12 Nb.05 Cr2.09 Fe.96 Al.36 Mg.6 O22' _cell_length_a 7.706 _cell_length_b 4.5583 _cell_length_c 20.187 _cell_angle_alpha 90 _cell_angle_beta 92.334 _cell_angle_gamma 90 _cell_volume 708.506 _exptl_crystal_density_diffrn 4.108 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Ti1 0.50000 0.00000 0.00000 1.00000 0.01646 Ti2 0.05620 0.00700 0.31130 0.94000 0.00380 V2 0.05620 0.00700 0.31130 0.06000 0.00380 Ti3 0.41280 0.99200 0.36910 0.97500 0.00431 Nb3 0.41280 0.99200 0.36910 0.02500 0.00431 Ti4 0.13280 0.99900 0.94480 1.00000 0.00722 Cr5 0.32710 0.00000 0.73960 0.77500 0.00823 Cr6 0.21870 0.01600 0.57470 0.27000 0.00887 Fe6 0.21870 0.01600 0.57470 0.17000 0.00887 Al6 0.21870 0.01600 0.57470 0.18000 0.00887 Mg7 0.27990 0.04000 0.20460 0.14000 0.00760 Fe8 0.23750 0.02100 0.10510 0.31000 0.00633 Mg8 0.23750 0.02100 0.10510 0.16000 0.00633 O1 0.70300 0.29300 0.48660 1.00000 0.03166 O2 0.25900 0.25500 0.80740 1.00000 0.01393 O3 0.17300 0.28300 0.16370 1.00000 0.02660 O4 0.80700 0.28300 0.11930 1.00000 0.02153 O5 0.62400 0.21500 0.35020 1.00000 0.01140 O6 0.06600 0.25200 0.02060 1.00000 0.03293 O7 0.35500 0.28600 0.43720 1.00000 0.02913 O8 0.52300 0.25300 0.21400 1.00000 0.03420 O9 0.88900 0.24000 0.25640 1.00000 0.01140 O10 0.98600 0.23300 0.39300 1.00000 0.01520 O11 0.43600 0.28300 0.07310 1.00000 0.02913