data_global _chemical_name_mineral 'Gayite' loop_ _publ_author_name 'Kampf A R' 'Colombo F' 'Gonzalez del Tanago J' _journal_name_full 'American Mineralogist' _journal_volume 95 _journal_year 2010 _journal_page_first 386 _journal_page_last 391 _publ_section_title ; Gayite, a new dufrenite-group mineral from the Gigante granitic pegmatite, Cordoba province, Argentina Cordoba province, Argentina ; _database_code_amcsd 0005031 _chemical_compound_source 'Gigante granitic pegmatite, Punilla department,' _chemical_formula_sum 'Na Fe4.06 Al1.01 Mn.93 P4 O24 H10' _cell_length_a 25.975 _cell_length_b 5.1766 _cell_length_c 13.929 _cell_angle_alpha 90 _cell_angle_beta 111.293 _cell_angle_gamma 90 _cell_volume 1745.070 _exptl_crystal_density_diffrn 3.220 _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 Na 0.00000 -0.17040 0.25000 1.00000 0.03400 Fe1 0.00000 0.00000 0.00000 0.73000 0.02900 Al1 0.00000 0.00000 0.00000 0.27000 0.02900 Mn2 0.25000 0.25000 0.00000 0.93000 0.02800 Fe2 0.25000 0.25000 0.00000 0.07000 0.02800 Fe3 0.15310 -0.01990 0.10950 0.76000 0.02600 Al3 0.15310 -0.01990 0.10950 0.24000 0.02600 Fe4 0.13970 -0.22860 0.34950 0.87000 0.02700 Al4 0.13970 -0.22860 0.34950 0.13000 0.02700 P1 0.21650 0.26140 0.33090 1.00000 0.03000 P2 0.07850 0.27070 0.39180 1.00000 0.03400 O1 0.08790 0.05480 0.32390 1.00000 0.03800 O2 0.07750 0.53170 0.33910 1.00000 0.03600 O3 0.02270 0.22780 0.40240 1.00000 0.04000 O4 0.12410 0.27200 0.49860 1.00000 0.03600 O-H5 0.16870 0.22850 0.01050 1.00000 0.03600 O6 0.20740 0.01080 0.38220 1.00000 0.03600 O7 0.19870 -0.51110 0.38210 1.00000 0.03100 O-H8 0.12850 -0.26710 0.20100 1.00000 0.03600 O9 0.17770 0.25480 0.21880 1.00000 0.03600 O10 0.22410 -0.21250 0.15570 1.00000 0.03400 O-H11 0.07530 0.13300 0.06760 1.00000 0.03800 Wat12 0.02320 -0.28970 0.10750 1.00000 0.03600 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 Na 0.02800 0.04600 0.02400 0.00000 0.00700 0.00000 Fe1 0.03200 0.03000 0.02100 -0.00100 0.00800 0.00000 Al1 0.03200 0.03000 0.02100 -0.00100 0.00800 0.00000 Mn2 0.02800 0.02500 0.02200 -0.00200 0.00100 -0.00300 Fe2 0.02800 0.02500 0.02200 -0.00200 0.00100 -0.00300 Fe3 0.03000 0.02700 0.01900 0.00100 0.00500 -0.00100 Al3 0.03000 0.02700 0.01900 0.00100 0.00500 -0.00100 Fe4 0.03300 0.02500 0.02000 0.00000 0.00600 0.00100 Al4 0.03300 0.02500 0.02000 0.00000 0.00600 0.00100 P1 0.03800 0.02300 0.02700 0.00200 0.00900 0.00000 P2 0.03700 0.03400 0.02800 0.00200 0.01000 0.00200 O1 0.06000 0.02500 0.02600 0.01000 0.01400 -0.00500 O2 0.05000 0.03200 0.02200 0.00000 0.00900 0.01400 O3 0.03600 0.04400 0.03300 0.00800 0.00300 0.00300 O4 0.02500 0.04500 0.03000 0.00300 0.00100 0.00200 O-H5 0.04500 0.03400 0.02200 0.00800 0.00300 0.00000 O6 0.03500 0.04000 0.02800 -0.00200 0.00600 -0.00500 O7 0.04300 0.02700 0.02100 -0.00400 0.01000 -0.00200 O-H8 0.04300 0.04500 0.01800 -0.00200 0.01100 0.00700 O9 0.04100 0.03700 0.02400 0.00500 0.00600 -0.00800 O10 0.02500 0.04000 0.03600 0.00600 0.00900 0.00300 O-H11 0.03300 0.04100 0.03600 0.00400 0.00700 0.00400 Wat12 0.04800 0.03700 0.02500 -0.00400 0.01400 0.00800