data_global _chemical_name_mineral 'Dixenite' loop_ _publ_author_name 'Araki T' 'Moore P B' _journal_name_full 'American Mineralogist' _journal_volume 66 _journal_year 1981 _journal_page_first 1263 _journal_page_last 1273 _publ_section_title ; Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters in an oxide matrix ; _database_code_amcsd 0000853 _chemical_formula_sum 'Mn12.9 Mg.1 Fe Cu.843 Si1.7 As6.3 O33 H6' _cell_length_a 8.233 _cell_length_b 8.233 _cell_length_c 37.499 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2201.236 _exptl_crystal_density_diffrn 4.242 _symmetry_space_group_name_H-M 'R 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn2 0.33333 0.66667 0.00622 0.90000 Mg1 0.33333 0.66667 0.00622 0.10000 Fe1 0.00000 0.00000 0.25749 1.00000 Mn3 0.04080 0.26170 0.06782 1.00000 Mn4 0.41580 0.33590 0.12987 1.00000 Mn5 0.10890 0.39760 0.19230 1.00000 Mn6 0.42260 0.31540 0.26133 1.00000 Cu1 0.33333 0.66667 0.31292 0.65100 Cu2 0.33333 0.66667 0.00300 0.19200 Si1 0.66667 0.33333 0.18792 0.86000 As1 0.66667 0.33333 0.18792 0.14000 Si2 0.00000 0.00000 0.14620 0.60000 As2 0.00000 0.00000 0.14620 0.40000 Si3 0.33333 0.66667 0.11357 0.24000 As3 0.33333 0.66667 0.11357 0.76000 As4 0.66667 0.33333 0.06992 1.00000 As5 0.33333 0.66667 0.25062 1.00000 As6 0.08854 0.37369 0.31589 1.00000 O1 0.00000 0.00000 0.10190 1.00000 O2 0.33333 0.66667 0.15840 1.00000 O3 0.66667 0.33333 0.23110 1.00000 O4 0.08990 0.44440 0.02120 1.00000 O5 0.46980 0.16590 0.09490 1.00000 O6 0.28370 0.45450 0.09880 1.00000 O7 0.16550 0.20810 0.16170 1.00000 O8 0.51940 0.12770 0.17070 1.00000 O9 0.36900 0.50100 0.22770 1.00000 O10 0.14680 0.22720 0.29050 1.00000 O11 0.46080 0.11850 0.29560 1.00000 O-H12 0.21400 0.17910 0.03750 1.00000 O-H13 0.23520 0.08140 0.22710 1.00000 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 Mn2 0.01236 0.01236 0.02850 0.00618 0.00000 0.00000 Mg1 0.01236 0.01236 0.02850 0.00618 0.00000 0.00000 Fe1 0.00721 0.00721 0.00712 0.00361 0.00000 0.00000 Mn3 0.01056 0.01313 0.01425 0.00618 0.00000 -0.00271 Mn4 0.01159 0.01571 0.01425 0.00747 -0.00135 -0.00542 Mn5 0.01082 0.01082 0.01425 0.00567 -0.00271 -0.00135 Mn6 0.00901 0.00901 0.01425 0.00489 -0.00135 0.00000 Cu1 0.00747 0.00747 0.01425 0.00386 0.00000 0.00000 Cu2 0.00979 0.00979 0.02137 0.00489 0.00000 0.00000 Si1 0.00824 0.00824 0.00712 0.00412 0.00000 0.00000 As1 0.00824 0.00824 0.00712 0.00412 0.00000 0.00000 Si2 0.00773 0.00773 0.00712 0.00386 0.00000 0.00000 As2 0.00773 0.00773 0.00712 0.00386 0.00000 0.00000 Si3 0.00747 0.00747 0.00712 0.00386 0.00000 0.00000 As3 0.00747 0.00747 0.00712 0.00386 0.00000 0.00000 As4 0.00979 0.00979 0.00712 0.00489 0.00000 0.00000 As5 0.00953 0.00953 0.00712 0.00464 0.00000 0.00000 As6 0.00901 0.01082 0.00712 0.00592 0.00000 0.00000 O1 0.01648 0.01648 0.00712 0.00824 0.00000 0.00000 O2 0.01545 0.01545 0.01425 0.00773 0.00000 0.00000 O3 0.00901 0.00901 0.00712 0.00464 0.00000 0.00000 O4 0.01854 0.01416 0.00712 0.00721 -0.00135 0.00135 O5 0.00876 0.00824 0.01425 0.00309 -0.00271 -0.00406 O6 0.01159 0.01004 0.01425 0.00773 -0.00542 -0.00271 O7 0.01030 0.00670 0.01425 0.00438 0.00000 -0.00271 O8 0.00953 0.01159 0.00712 0.00283 0.00271 -0.00135 O9 0.01288 0.01288 0.01425 0.00876 -0.00271 0.00000 O10 0.01262 0.01004 0.01425 0.00644 0.00000 -0.00271 O11 0.00695 0.00876 0.00712 0.00026 0.00135 0.00271 O-H12 0.01133 0.01210 0.01425 0.00489 -0.00271 -0.00271 O-H13 0.01288 0.01030 0.00712 0.00644 -0.00135 -0.00135