data_global _chemical_name_mineral 'Mangani-dellaventuraite' loop_ _publ_author_name 'Tait K T' 'Hawthorne F C' 'Grice J D' 'Ottolini L' 'Nayak V K' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 304 _journal_page_last 309 _publ_section_title ; Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India ; _database_code_amcsd 0003735 _chemical_formula_sum 'Mg1.85 Mn.83 Ti.6 Fe.72 Al.1 Li1.8 Na2.92 Ca.28 Si8 O24 K.8' _cell_length_a 9.808 _cell_length_b 17.840 _cell_length_c 5.2848 _cell_angle_alpha 90 _cell_angle_beta 104.653 _cell_angle_gamma 90 _cell_volume 894.631 _exptl_crystal_density_diffrn 3.315 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-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 Mg1 0.00000 0.08163 0.50000 0.39000 0.01000 Mn3+1 0.00000 0.08163 0.50000 0.31000 0.01000 Ti4+1 0.00000 0.08163 0.50000 0.30000 0.01000 Mg2 0.00000 0.17930 0.00000 0.50000 0.00700 Fe3+2 0.00000 0.17930 0.00000 0.36000 0.00700 Mn2+2 0.00000 0.17930 0.00000 0.09000 0.00700 Al2 0.00000 0.17930 0.00000 0.05000 0.00700 Li3 0.00000 0.17930 0.00000 0.90000 0.00700 Mg3 0.00000 0.00000 0.00000 0.07000 0.02300 Mn3+3 0.00000 0.00000 0.00000 0.03000 0.02300 Na4 0.00000 0.27565 0.50000 0.86000 0.01600 Ca4 0.00000 0.27565 0.50000 0.14000 0.01600 Si1 0.27918 0.08596 0.29510 1.00000 0.00800 Si2 0.28818 0.17064 0.80110 1.00000 0.00710 O1 0.11080 0.08900 0.21760 1.00000 0.01070 O2 0.11720 0.16620 0.72290 1.00000 0.01150 O3 0.10870 0.00000 0.69250 1.00000 0.01270 O4 0.35960 0.25000 0.80290 1.00000 0.01250 O5 0.34760 0.12790 0.08490 1.00000 0.01150 O6 0.34610 0.11900 0.58620 1.00000 0.01150 O7 0.33640 0.00000 0.30050 1.00000 0.01240 NaAm 0.01700 0.50000 0.03900 0.60000 0.01800 KAm* 0.05100 0.50000 0.10400 0.40000 0.01800 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 Mg1 0.00870 0.01670 0.00570 0.00000 0.00410 0.00000 Mn3+1 0.00870 0.01670 0.00570 0.00000 0.00410 0.00000 Ti4+1 0.00870 0.01670 0.00570 0.00000 0.00410 0.00000 Mg2 0.00840 0.00730 0.00620 0.00000 0.00320 0.00000 Fe3+2 0.00840 0.00730 0.00620 0.00000 0.00320 0.00000 Mn2+2 0.00840 0.00730 0.00620 0.00000 0.00320 0.00000 Al2 0.00840 0.00730 0.00620 0.00000 0.00320 0.00000 Li3 0.00840 0.00730 0.00620 0.00000 0.00320 0.00000 Mg3 0.02700 0.01400 0.02400 0.00000 -0.00300 0.00000 Mn3+3 0.02700 0.01400 0.02400 0.00000 -0.00300 0.00000 Na4 0.02020 0.01370 0.01970 0.00000 0.01540 0.00000 Ca4 0.02020 0.01370 0.01970 0.00000 0.01540 0.00000 Si1 0.00920 0.00920 0.00600 0.00060 0.00270 -0.00010 Si2 0.00860 0.00670 0.00640 -0.00050 0.00250 -0.00010 O1 0.01000 0.01300 0.00900 -0.00250 0.00270 -0.00060 O2 0.00840 0.01600 0.01090 0.00050 0.00450 0.00010 O3 0.01100 0.01300 0.01400 0.00000 0.00200 0.00000 O4 0.01600 0.01050 0.01400 -0.00290 0.00800 -0.00220 O5 0.00930 0.01550 0.01040 0.00120 0.00420 0.00240 O6 0.01260 0.01440 0.00790 0.00270 0.00320 -0.00090 O7 0.01000 0.00900 0.01700 0.00000 0.00200 0.00000