data_global _chemical_name_mineral 'Lalondeite' loop_ _publ_author_name 'McDonald A M' 'Chao G Y' _journal_name_full 'The Canadian Mineralogist' _journal_volume 47 _journal_year 2009 _journal_page_first 181 _journal_page_last 191 _publ_section_title ; Lalondeite, a new hydrated Na-Ca fluorosilicate species from Mont Saint-Hilaire, Quebec: Description and crystal structure ; _database_code_amcsd 0006279 _chemical_compound_source 'Poudrette quarry, Mont Saint-Hilaire, Quesbec, Canada' _chemical_formula_sum 'Na4.6 Ca4.04 Si16 O41 F2 H6' _cell_length_a 9.589 _cell_length_b 9.613 _cell_length_c 12.115 _cell_angle_alpha 96.62 _cell_angle_beta 92.95 _cell_angle_gamma 119.81 _cell_volume 954.823 _exptl_crystal_density_diffrn 2.464 _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 Na1 0.13770 0.92940 0.99900 0.82000 0.02900 Na2a 0.04100 0.05200 0.71400 0.50000 0.03700 Na2b 0.97900 0.97600 0.36100 0.50000 0.06000 Ca1 0.00000 0.50000 0.00000 1.00000 0.00800 Ca2 0.42580 0.78780 0.99520 1.00000 0.00960 Ca3 0.29440 0.36480 0.01290 0.52000 0.01800 Na3 0.29440 0.36480 0.01290 0.48000 0.01800 Si1 0.19090 0.80380 0.22440 1.00000 0.00600 Si2 0.18020 0.43800 0.77370 1.00000 0.00800 Si3 0.30500 0.63060 0.36320 1.00000 0.00800 Si4 0.30130 0.93890 0.77120 1.00000 0.00600 Si5 0.07290 0.30700 0.22560 1.00000 0.00700 Si6 0.36280 0.69880 0.63050 1.00000 0.00700 Si7 0.42360 0.30670 0.77530 1.00000 0.00800 Si8 0.31950 0.17920 0.22840 1.00000 0.00900 O1 0.07960 0.34820 0.10350 1.00000 0.01800 O2 0.50040 0.36510 0.90070 1.00000 0.02500 O3 0.99220 0.29450 0.74260 1.00000 0.02200 O4 0.33500 0.66300 0.49600 1.00000 0.01600 O5 0.22020 0.52950 0.89900 1.00000 0.01300 O6 0.37860 0.95820 0.89440 1.00000 0.01200 O7 0.18110 0.22530 0.25510 1.00000 0.01400 O8 0.20700 0.74910 0.10100 1.00000 0.01900 O9 0.36650 0.20200 0.10750 1.00000 0.02200 O10 0.30100 0.78190 0.32070 1.00000 0.01200 O11 0.33320 0.10990 0.73630 1.00000 0.01500 O12 0.13560 0.46470 0.32300 1.00000 0.00900 O13 0.36850 0.86700 0.67400 1.00000 0.01500 O14 0.21480 0.55250 0.67740 1.00000 0.01000 O15 0.89520 0.17360 0.24980 1.00000 0.02100 O16 0.45030 0.61500 0.31660 1.00000 0.01300 O17 0.53270 0.71320 0.67080 1.00000 0.01600 O18 0.23670 0.99260 0.25190 1.00000 0.01900 O19 0.28000 0.34430 0.74880 1.00000 0.02200 F 0.09000 0.11200 0.91200 1.00000 0.04200 Wat20 0.36500 0.02200 0.49000 0.50000 0.06700 Wat21 0.99000 0.32500 0.50400 0.50000 0.09700 Wat22 0.69200 0.65900 0.49700 0.50000 0.09900 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 Na1 0.02400 0.02200 0.04100 0.00900 0.00400 0.01400 Na2a 0.01400 0.01800 0.09000 0.01100 0.02100 0.03000 Na2b 0.07000 0.08000 0.00000 0.03000 -0.01000 -0.04000 Ca1 0.00700 0.01100 0.00600 0.00300 0.00200 0.00000 Ca2 0.07400 0.00850 0.01100 0.02800 -0.00100 0.00200 Ca3 0.01400 0.02300 0.02200 0.01100 0.00400 0.01100 Na3 0.01400 0.02300 0.02200 0.01100 0.00400 0.01100 Si1 0.00200 0.00700 0.00600 0.00100 0.00000 0.00100 Si2 0.00400 0.01000 0.01200 0.00400 0.00300 0.00500 Si3 0.00500 0.01000 0.01000 0.00300 0.00100 0.00500 Si4 0.00600 0.00600 0.00700 0.00300 0.00100 0.00100 Si5 0.00500 0.00800 0.00800 0.00300 0.00100 0.00100 Si6 0.00500 0.00900 0.00600 0.00200 0.00000 0.00200 Si7 0.00700 0.00900 0.00800 0.00500 0.00200 0.00300 Si8 0.00600 0.00800 0.01200 0.00300 0.00000 0.00300 O1 0.01600 0.02600 0.02000 0.01400 0.00700 0.01100 O2 0.02600 0.02600 0.03000 0.01700 0.00300 0.01400 O3 0.00200 0.01900 0.04000 0.00000 0.00000 0.01200 O4 0.02000 0.02100 0.00000 0.00900 0.00500 -0.02000 O5 0.01100 0.01400 0.00000 0.00200 -0.00800 -0.01200 O6 0.01900 0.01000 0.00400 0.00700 -0.00400 -0.00400 O7 0.00600 0.01600 0.02000 0.00700 0.00000 0.00500 O8 0.02000 0.01700 0.02000 0.00900 0.01600 0.00300 O9 0.01800 0.02900 0.02000 0.01500 0.00900 0.01600 O10 0.00700 0.00900 0.02000 0.00300 -0.00100 0.00400 O11 0.02100 0.01300 0.02000 0.01200 0.00700 0.00500 O12 0.00600 0.00400 0.01000 -0.00100 -0.00400 -0.01200 O13 0.01600 0.00800 0.02000 0.00500 0.00600 -0.00200 O14 0.01000 0.01300 0.00500 0.00400 0.00400 0.00400 O15 0.00800 0.02100 0.04000 0.00700 0.00800 0.01200 O16 0.01100 0.01100 0.01700 0.00600 0.00600 0.00500 O17 0.00700 0.01000 0.02000 0.00100 -0.01200 -0.00800 O18 0.02200 0.01000 0.02000 0.00600 -0.00800 0.00100 O19 0.01300 0.02000 0.03000 0.01100 -0.00100 0.01000 F 0.02600 0.04800 0.04000 0.00900 0.00200 0.01000