data_global _chemical_name_mineral 'Oxo-magnesio-hastingsite' loop_ _publ_author_name 'Zaitsev A N' 'Avdontseva E Y' 'Britvin S N' 'Demeny A' 'Homonnay Z' 'Jeffries T E' 'Keller J' 'Krivovichev V G' 'Markl G' 'Platonova N V' 'Siidra O I' 'Spratt J' 'Vennemann T' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 2773 _journal_page_last 2792 _publ_section_title ; Oxo-magnesio-hastingsite, NaCa2(Mg2Fe3+3)(Al2Si6)O22O2, a new anhydrous amphibole from the Deeti volcanic cone, Gregory rift, northern Tanzania ; _database_code_amcsd 0019979 _chemical_compound_source 'the Deeti volcanic cone, Gregory rift, northern Tanzania' _chemical_formula_sum 'Na.82 K.33 Mg3.09 Ti.44 Fe1.35 Al1.92 Ca1.84 Mn.01 Si6.2 O24 H.6' _cell_length_a 9.8837 _cell_length_b 18.0662 _cell_length_c 5.3107 _cell_angle_alpha 90 _cell_angle_beta 105.278 _cell_angle_gamma 90 _cell_volume 914.770 _exptl_crystal_density_diffrn 3.224 _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 NaAm 0.02170 0.50000 0.04330 0.33500 0.01980 KAm* 0.05870 0.50000 0.11400 0.16500 0.03710 MgM1 0.00000 0.08344 0.50000 0.61000 0.01223 Ti4+M1 0.00000 0.08344 0.50000 0.22000 0.01223 Fe3+M1 0.00000 0.08344 0.50000 0.17000 0.01223 MgM2 0.00000 0.17717 0.00000 0.60000 0.00715 AlM2 0.00000 0.17717 0.00000 0.06000 0.00715 Fe3+M2 0.00000 0.17717 0.00000 0.34000 0.00715 MgM3 0.00000 0.00000 0.00000 0.67000 0.00810 Fe3+M3 0.00000 0.00000 0.00000 0.33000 0.00810 CaM4 0.27880 0.50000 0.01131 0.92000 0.01131 NaM4 0.27880 0.50000 0.01131 0.07500 0.01131 Mn2+M4 0.27880 0.50000 0.01131 0.00500 0.01131 SiT1 0.28190 0.08529 0.30306 0.57500 0.00740 AlT1 0.28190 0.08529 0.30306 0.42500 0.00740 SiT2 0.29017 0.17250 0.81059 0.97500 0.00724 AlT2 0.29017 0.17250 0.81059 0.02500 0.00724 O1 0.10780 0.08700 0.21959 1.00000 0.00988 O2 0.11857 0.17148 0.72761 1.00000 0.00989 O3 0.10719 0.00000 0.71450 0.70000 0.01220 O-H3 0.10719 0.00000 0.71450 0.30000 0.01220 O4 0.36486 0.25034 0.78990 1.00000 0.01222 O5 0.34981 0.13882 0.10795 1.00000 0.01400 O6 0.34649 0.11779 0.60676 1.00000 0.01370 O7 0.34140 0.00000 0.28520 1.00000 0.01720 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 MgM1 0.00860 0.02090 0.00770 0.00000 0.00317 0.00000 Ti4+M1 0.00860 0.02090 0.00770 0.00000 0.00317 0.00000 Fe3+M1 0.00860 0.02090 0.00770 0.00000 0.00317 0.00000 MgM2 0.00730 0.00640 0.00780 0.00000 0.00213 0.00000 AlM2 0.00730 0.00640 0.00780 0.00000 0.00213 0.00000 Fe3+M2 0.00730 0.00640 0.00780 0.00000 0.00213 0.00000 MgM3 0.00970 0.00560 0.00790 0.00000 0.00040 0.00000 Fe3+M3 0.00970 0.00560 0.00790 0.00000 0.00040 0.00000 CaM4 0.01290 0.00996 0.01290 0.00000 0.00672 0.00000 NaM4 0.01290 0.00996 0.01290 0.00000 0.00672 0.00000 Mn2+M4 0.01290 0.00996 0.01290 0.00000 0.00672 0.00000 SiT1 0.00744 0.00632 0.00809 -0.00073 0.00141 -0.00056 AlT1 0.00744 0.00632 0.00809 -0.00073 0.00141 -0.00056 SiT2 0.00715 0.00686 0.00760 -0.00082 0.00176 -0.00005 AlT2 0.00715 0.00686 0.00760 -0.00082 0.00176 -0.00005 O1 0.00930 0.00960 0.01040 -0.00080 0.00200 -0.00040 O2 0.00820 0.01050 0.01070 -0.00010 0.00200 0.00030 O3 0.01060 0.01360 0.01190 0.00000 0.00230 0.00000 O-H3 0.01060 0.01360 0.01190 0.00000 0.00230 0.00000 O4 0.01360 0.00970 0.01350 -0.00280 0.00390 -0.00040 O5 0.01120 0.01690 0.01290 0.00020 0.00140 0.00510 O6 0.01210 0.01430 0.01510 0.00010 0.00400 -0.00420 O7 0.01250 0.01480 0.02260 0.00000 0.00180 0.00000