data_global _chemical_name_mineral 'Manganaxinite' loop_ _publ_author_name 'Andreozzi G B' 'Lucchesi S' 'Graziani G' 'Russo U' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 1763 _journal_page_last 1771 _publ_section_title ; Site distribution of Fe2+ and Fe3+ in axinite mineral group: New crystal-chemical formula Sample 47 ; _database_code_amcsd 0003658 _chemical_formula_sum 'Si4 B Ca1.95 Mn.995 Fe.18 Mg.015 Al1.86 O16 H.9' _cell_length_a 7.1849 _cell_length_b 9.2152 _cell_length_c 8.9765 _cell_angle_alpha 91.761 _cell_angle_beta 98.153 _cell_angle_gamma 77.150 _cell_volume 573.595 _exptl_crystal_density_diffrn 3.320 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 SiT1 0.21431 0.45019 0.23727 1.00000 0.00472 SiT2 0.21933 0.27500 0.52453 1.00000 0.00401 SiT3 0.70072 0.25369 0.01152 1.00000 0.00478 SiT4 0.64055 0.01901 0.23013 1.00000 0.00447 BT5 0.46165 0.63523 0.28647 1.00000 0.00132 CaX1 0.74611 0.34774 0.39587 1.00000 0.00775 CaX2 0.18328 0.10062 0.08379 0.95000 0.00857 MnX2 0.18328 0.10062 0.08379 0.05000 0.00857 MnY 0.76934 0.58917 0.11157 0.94500 0.00797 Fe2+Y 0.76934 0.58917 0.11157 0.03500 0.00797 MgY 0.76934 0.58917 0.11157 0.00500 0.00797 AlY 0.76934 0.58917 0.11157 0.01500 0.00797 AlZ1 0.05275 0.80181 0.25422 0.87000 0.00412 Fe3+Z1 0.05275 0.80181 0.25422 0.13000 0.00412 AlZ2 0.35213 0.93654 0.42153 0.97500 0.00422 Fe3+Z2 0.35213 0.93654 0.42153 0.01500 0.00422 MgZ2 0.35213 0.93654 0.42153 0.01000 0.00422 O1 0.05970 0.60338 0.18974 1.00000 0.00692 O2 0.23487 0.33740 0.10084 1.00000 0.00916 O3 0.42142 0.48736 0.31412 1.00000 0.00673 O4 0.13711 0.37590 0.37345 1.00000 0.00980 O5 0.02186 0.24271 0.56344 1.00000 0.00655 O6 0.32635 0.37826 0.64732 1.00000 0.00614 O7 0.38006 0.12749 0.49598 1.00000 0.00509 O8 0.54054 0.34368 0.87721 1.00000 0.00664 O9 0.87760 0.15216 0.93434 1.00000 0.00660 O10 0.77047 0.36264 0.13966 1.00000 0.00890 O11 0.60365 0.13357 0.08602 1.00000 0.00924 O12 0.43632 0.98193 0.24413 1.00000 0.00651 O13 0.71944 0.09975 0.38340 1.00000 0.00596 O14 0.79302 0.87344 0.17787 1.00000 0.00753 O15 0.32625 0.74656 0.35564 1.00000 0.00531 O16 0.09696 0.99702 0.32332 1.00000 0.00668 H 0.00100 0.95100 0.62700 0.90000 ?