data_global _chemical_name_mineral 'Laurentianite' loop_ _publ_author_name 'Haring M M M' 'McDonald A M' 'Cooper M A' 'Poirier G A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 1265 _journal_page_last 1280 _publ_section_title ; Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis ; _database_code_amcsd 0019711 _chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada' _chemical_formula_sum 'Na2.76 Nb3 Si4 O26 H18' _cell_length_a 9.937 _cell_length_b 9.937 _cell_length_c 7.004 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 598.946 _exptl_crystal_density_diffrn 2.464 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,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 0.33040 0.16440 0.24290 0.92000 0.02360 Nb1 0.33260 0.12930 0.74820 0.55000 0.00970 Nb2 0.33220 0.20150 0.73890 0.45000 0.01370 Si1 0.66667 0.33333 0.01570 1.00000 0.00860 Si2 0.66667 0.33333 0.47830 1.00000 0.00890 Si3 0.00000 0.00000 0.01610 1.00000 0.01000 Si4 0.00000 0.00000 0.47800 1.00000 0.01040 O1 0.66667 0.33333 0.23780 1.00000 0.01800 O2 0.17770 0.10190 0.94360 1.00000 0.01980 O3 0.48520 0.25460 0.95320 1.00000 0.02180 O4 0.00000 0.00000 0.23820 1.00000 0.02100 O5 0.17410 0.07460 0.55260 1.00000 0.01900 O6 0.48930 0.23180 0.54360 1.00000 0.02350 O7 0.33280 0.37960 0.71360 1.00000 0.01920 Wat8 0.33210 0.95140 0.78120 1.00000 0.02700 Wat9 0.33200 0.39980 0.30880 1.00000 0.03600 Wat10 0.07480 0.40650 0.19230 1.00000 0.04600 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 0.02620 0.03110 0.01220 0.01330 -0.00020 -0.00550 Nb1 0.01080 0.01560 0.00110 0.00550 -0.00010 0.00190 Nb2 0.01160 0.01620 0.01200 0.00600 -0.00020 -0.00010 Si1 0.01140 0.01140 0.00290 0.00570 0.00000 0.00000 Si2 0.01230 0.01230 0.00210 0.00620 0.00000 0.00000 Si3 0.01260 0.01260 0.00480 0.00630 0.00000 0.00000 Si4 0.01360 0.01360 0.00390 0.00680 0.00000 0.00000 O1 0.02700 0.02700 0.00000 0.01400 0.00000 0.00000 O2 0.00900 0.03200 0.00900 0.00300 0.00500 0.00400 O3 0.01800 0.03800 0.00900 0.01400 -0.00600 -0.00900 O4 0.03100 0.03100 0.00000 0.01500 0.00000 0.00000 O5 0.01000 0.02800 0.01300 0.00500 -0.00300 0.00200 O6 0.02300 0.02400 0.02000 0.00900 0.00600 0.00100 O7 0.02300 0.02100 0.01800 0.01400 0.00000 0.00400 Wat8 0.02800 0.02400 0.02500 0.01000 0.00000 -0.00400 Wat9 0.04600 0.03200 0.03000 0.02000 0.00400 0.01700 Wat10 0.07000 0.05200 0.02300 0.03600 0.00400 0.00100