data_global _chemical_name_mineral 'Canutite' loop_ _publ_author_name 'Kampf A R' 'Mils S J' 'Hatert F' 'Nash B P' 'Dini M' 'Molina Donoso A A' _journal_name_full 'Mineralogical Magazine' _journal_volume 78 _journal_year 2014 _journal_page_first 787 _journal_page_last 795 _publ_section_title ; Canutite, NaMn3[AsO4][AsO3(OH)]2, a new protonated alluaudite-group mineral from the Torrecillas mine, Iquique Province, Chile ; _database_code_amcsd 0020473 _chemical_compound_source 'Torrecillas mine, Iquique Province, Chile' _chemical_formula_sum 'Na Mn2.514 Mg.322 Co.132 Cu.032 As3 O12 H2' _cell_length_a 12.3282 _cell_length_b 12.6039 _cell_length_c 6.8814 _cell_angle_alpha 90 _cell_angle_beta 113.480 _cell_angle_gamma 90 _cell_volume 980.720 _exptl_crystal_density_diffrn 4.047 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 NaA2* 0.00000 0.00680 0.25000 1.00000 0.04150 MnM1 0.50000 0.21598 0.25000 0.94400 0.01082 MgM1 0.50000 0.21598 0.25000 0.05600 0.01082 MnM2 0.29298 0.34086 0.37881 0.78500 0.01120 MgM2 0.29298 0.34086 0.37881 0.13300 0.01120 CoM2 0.29298 0.34086 0.37881 0.06600 0.01120 CuM2 0.29298 0.34086 0.37881 0.01600 0.01120 As1 0.00000 0.31233 0.25000 1.00000 0.00882 As2 0.21767 0.11371 0.11405 1.00000 0.00834 O1 0.35287 0.49819 0.40290 1.00000 0.01330 O2 0.36364 0.08994 0.16380 1.00000 0.01350 H 0.37500 0.02500 0.18700 1.00000 0.01600 O3 0.11337 0.39439 0.26670 1.00000 0.01390 O4 0.34715 0.32454 0.12090 1.00000 0.01240 O5 0.21268 0.18657 0.31310 1.00000 0.01180 O6 0.03521 0.23829 0.46970 1.00000 0.01180 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 NaA2' 0.01510 0.09400 0.01330 0.00000 0.00350 0.00000 MnM1 0.00990 0.01150 0.01180 0.00000 0.00510 0.00000 MgM1 0.00990 0.01150 0.01180 0.00000 0.00510 0.00000 MnM2 0.01210 0.01060 0.01190 0.00015 0.00585 0.00015 MgM2 0.01210 0.01060 0.01190 0.00015 0.00585 0.00015 CoM2 0.01210 0.01060 0.01190 0.00015 0.00585 0.00015 CuM2 0.01210 0.01060 0.01190 0.00015 0.00585 0.00015 As1 0.01000 0.00890 0.00630 0.00000 0.00189 0.00000 As2 0.00997 0.00814 0.00638 0.00008 0.00269 0.00011 O1 0.01180 0.01110 0.01620 0.00380 0.00480 0.00010 O2 0.00920 0.00980 0.02250 0.00080 0.00720 0.00150 O3 0.01080 0.01060 0.02090 0.00140 0.00690 0.00040 O4 0.01420 0.01430 0.00790 0.00470 0.00340 0.00150 O5 0.01290 0.01310 0.00990 0.00010 0.00510 0.00210 O6 0.01030 0.01680 0.00820 0.00220 0.00360 0.00400