data_global _chemical_name_mineral 'Gatedalite' loop_ _publ_author_name 'Halenius U' 'Bosi F' _journal_name_full 'Mineralogical Magazine' _journal_volume 79 _journal_year 2015 _journal_page_first 625 _journal_page_last 634 _publ_section_title ; Gatedalite, Zr(Mn2+2Mn3+4)SiO12, a new mineral species of the braunite group from Langban, Sweden ; _database_code_amcsd 0020385 _chemical_compound_source 'Langban deposit, Langban, Sweden' _chemical_formula_sum 'Zr.49 Mn5.4 Mg.48 Ca.02 Zn.01 Ce.01 Al.01 Fe.58 Si O12' _cell_length_a 9.4668 _cell_length_b 9.4668 _cell_length_c 18.8701 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1691.144 _exptl_crystal_density_diffrn 4.781 _symmetry_space_group_name_H-M 'I 41/a c d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4-y,3/4-x,3/4+z' '3/4-y,1/4-x,1/4+z' '1/4+y,3/4+x,3/4-z' '3/4+y,1/4+x,1/4-z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4+y,1/4+x,1/4+z' '3/4+y,3/4+x,3/4+z' '1/4-y,1/4-x,1/4-z' '3/4-y,3/4-x,3/4-z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,-y,-z' '1/2-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 Zr1 0.00000 0.25000 0.12500 0.49000 0.01083 Mn1 0.00000 0.25000 0.12500 0.40000 0.01083 Mg1 0.00000 0.25000 0.12500 0.07000 0.01083 Ca1 0.00000 0.25000 0.12500 0.02000 0.01083 Zn1 0.00000 0.25000 0.12500 0.01000 0.01083 Ce1 0.00000 0.25000 0.12500 0.01000 0.01083 Mn3+2 0.00000 0.00000 0.00000 0.96000 0.00999 Mn2+2 0.00000 0.00000 0.00000 0.01000 0.00999 Mg2 0.00000 0.00000 0.00000 0.02500 0.00999 Al2 0.00000 0.00000 0.00000 0.00500 0.00999 Mn3+3 0.25000 0.21715 0.00000 0.44500 0.00958 Fe3 0.25000 0.21715 0.00000 0.29000 0.00958 Mn2+3 0.25000 0.21715 0.00000 0.17000 0.00958 Mg3 0.25000 0.21715 0.00000 0.09500 0.00958 Mn3+4 0.23539 0.48539 0.12500 0.81500 0.00984 Mn2+4 0.23539 0.48539 0.12500 0.10000 0.00984 Mg4 0.23539 0.48539 0.12500 0.08500 0.00984 Si 0.00000 0.25000 0.37500 1.00000 0.00790 O1 0.14641 0.85765 0.94603 1.00000 0.01560 O2 0.13889 0.07817 0.05840 1.00000 0.01750 O3 0.08203 0.13707 0.92473 1.00000 0.01520 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 Zr1 0.01221 0.01221 0.00810 -0.00546 0.00000 0.00000 Mn1 0.01221 0.01221 0.00810 -0.00546 0.00000 0.00000 Mg1 0.01221 0.01221 0.00810 -0.00546 0.00000 0.00000 Ca1 0.01221 0.01221 0.00810 -0.00546 0.00000 0.00000 Zn1 0.01221 0.01221 0.00810 -0.00546 0.00000 0.00000 Ce1 0.01221 0.01221 0.00810 -0.00546 0.00000 0.00000 Mn3+2 0.01020 0.01138 0.00840 -0.00289 -0.00112 0.00136 Mn2+2 0.01020 0.01138 0.00840 -0.00289 -0.00112 0.00136 Mg2 0.01020 0.01138 0.00840 -0.00289 -0.00112 0.00136 Al2 0.01020 0.01138 0.00840 -0.00289 -0.00112 0.00136 Mn3+3 0.01018 0.00998 0.00860 0.00000 0.00147 0.00000 Fe3 0.01018 0.00998 0.00860 0.00000 0.00147 0.00000 Mn2+3 0.01018 0.00998 0.00860 0.00000 0.00147 0.00000 Mg3 0.01018 0.00998 0.00860 0.00000 0.00147 0.00000 Mn3+4 0.01062 0.01062 0.00830 -0.00049 0.00047 -0.00047 Mn2+4 0.01062 0.01062 0.00830 -0.00049 0.00047 -0.00047 Mg4 0.01062 0.01062 0.00830 -0.00049 0.00047 -0.00047 Si 0.00750 0.00750 0.00880 0.00000 0.00000 0.00000 O1 0.01730 0.01360 0.01580 -0.00240 -0.00380 0.00010 O2 0.02380 0.01700 0.01170 -0.00550 -0.00530 0.00080 O3 0.01660 0.01470 0.01440 0.00170 -0.00170 0.00160