data_global _chemical_name_mineral 'Mosandrite' loop_ _publ_author_name 'Bellezza M' 'Merlino S' 'Perchiazzi N' _journal_name_full 'The Canadian Mineralogist' _journal_volume 47 _journal_year 2009 _journal_page_first 897 _journal_page_last 908 _publ_section_title ; Mosandrite: Structural and crystal-chemical relationships with rinkite ; _database_code_amcsd 0006295 _chemical_compound_source 'nepheline syenite pegmatites on Laven Island, Langesundsfjord, Norway' _chemical_formula_sum '(Ti.96 Nb.04) O17.8 Na.24 Ca3.58 Ce1.1 Zr.08 Si4 F.9 H5.42' _cell_length_a 7.398 _cell_length_b 5.595 _cell_length_c 18.662 _cell_angle_alpha 90 _cell_angle_beta 101.37 _cell_angle_gamma 90 _cell_volume 757.294 _exptl_crystal_density_diffrn 3.420 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 TiM1 0.00000 0.00000 0.00000 0.96000 0.02300 NbM1 0.00000 0.00000 0.00000 0.04000 0.02300 WatM2 0.50000 0.00000 0.00000 0.70000 0.02700 NaM2 0.50000 0.00000 0.00000 0.14000 0.02700 CaM2 0.50000 0.00000 0.00000 0.16000 0.02700 NaM3 0.75070 0.50130 0.00040 0.05000 0.02800 CaM3 0.75070 0.50130 0.00040 0.23000 0.02800 CeM3 0.75070 0.50130 0.00040 0.07000 0.02800 CaM4 0.09440 0.66580 0.19250 0.65000 0.01600 CeM4 0.09440 0.66580 0.19250 0.31000 0.01600 ZrM4 0.09440 0.66580 0.19250 0.04000 0.01600 CaM5 0.59730 0.66460 0.19180 0.83000 0.01600 CeM5 0.59730 0.66460 0.19180 0.17000 0.01600 Sil 0.35040 0.16050 0.13850 1.00000 0.01400 Si2 0.78370 0.15950 0.13650 1.00000 0.01400 O1 0.21350 0.15790 0.06110 1.00000 0.03200 O2 0.83790 0.15040 0.05810 1.00000 0.03000 O3 0.33690 0.39910 0.18500 1.00000 0.02100 O4 0.84640 0.39840 0.18170 1.00000 0.02400 O5 0.33660 0.93260 0.19030 1.00000 0.02200 O6 0.85210 0.93370 0.18860 1.00000 0.01900 O7 0.55690 0.15430 0.11890 1.00000 0.04000 O-HF1 0.03110 0.69580 0.06230 0.65000 0.03600 FF1 0.03110 0.69580 0.06230 0.35000 0.03600 WatF2 0.52950 0.66590 0.06110 0.46000 0.04300 O-HF2 0.52950 0.66590 0.06110 0.44000 0.04300 FF2 0.52950 0.66590 0.06110 0.10000 0.04300 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 TiM1 0.01400 0.04000 0.01500 -0.00300 0.00400 -0.01800 NbM1 0.01400 0.04000 0.01500 -0.00300 0.00400 -0.01800 WatM2 0.02400 0.04400 0.01300 -0.00200 0.00100 -0.00800 NaM2 0.02400 0.04400 0.01300 -0.00200 0.00100 -0.00800 CaM2 0.02400 0.04400 0.01300 -0.00200 0.00100 -0.00800 NaM3 0.02800 0.02100 0.03500 -0.00100 0.00700 0.00500 CaM3 0.02800 0.02100 0.03500 -0.00100 0.00700 0.00500 CeM3 0.02800 0.02100 0.03500 -0.00100 0.00700 0.00500 CaM4 0.01500 0.01400 0.01800 0.00000 0.00300 0.00100 CeM4 0.01500 0.01400 0.01800 0.00000 0.00300 0.00100 ZrM4 0.01500 0.01400 0.01800 0.00000 0.00300 0.00100 CaM5 0.01500 0.01600 0.01900 0.00000 0.00400 0.00200 CeM5 0.01500 0.01600 0.01900 0.00000 0.00400 0.00200 Sil 0.01700 0.01300 0.01200 -0.00100 0.00100 -0.00200 Si2 0.01900 0.01400 0.01000 0.00000 0.00300 0.00000 O1 0.03200 0.04100 0.01700 -0.01100 -0.00900 -0.00200 O2 0.03800 0.03900 0.01700 0.00800 0.01450 -0.00400 O3 0.02700 0.01400 0.02300 -0.00200 0.00800 -0.00500 O4 0.02300 0.01800 0.03000 0.00000 0.00400 -0.00900 O5 0.02700 0.01900 0.02100 -0.00100 0.00600 0.00200 O6 0.02600 0.01200 0.02000 0.00200 0.00400 0.00100 O7 0.01500 0.06500 0.04300 -0.00300 0.01100 -0.00600 O-HF1 0.03700 0.05000 0.02000 0.00000 0.00600 0.00000 FF1 0.03700 0.05000 0.02000 0.00000 0.00600 0.00000 WatF2 0.06900 0.04400 0.01700 -0.00400 0.00100 -0.00600 O-HF2 0.06900 0.04400 0.01700 -0.00400 0.00100 -0.00600 FF2 0.06900 0.04400 0.01700 -0.00400 0.00100 -0.00600