data_global _chemical_name_mineral 'Tundrite-(Ce)' loop_ _publ_author_name 'Grice J D' 'Rowe R' 'Poirier G' 'Wight Q' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 413 _journal_page_last 422 _publ_section_title ; Tundrite-(Ce) from Mount Saint-Hilaire, Quebec: Crystal-structure analysis and species characterization ; _database_code_amcsd 0006184 _chemical_compound_source 'Mount Saint-Hilaire, Quebec, Canada' _chemical_formula_sum 'Ce1.03 La.621 Nd.229 Pr.081 Sm.014 Na1.906 Ca.039 Ti.875 Nb.109 Si C2 O12.11 H.25' _cell_length_a 7.5760 _cell_length_b 13.9252 _cell_length_c 5.0290 _cell_angle_alpha 99.981 _cell_angle_beta 70.791 _cell_angle_gamma 100.947 _cell_volume 488.363 _exptl_crystal_density_diffrn 4.221 _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 Ce1 0.65730 0.77970 0.59520 1.00000 0.00968 Ce2 0.21950 0.77840 0.31190 0.03000 0.01052 La2 0.21950 0.77840 0.31190 0.62100 0.01052 Nd2 0.21950 0.77840 0.31190 0.22900 0.01052 Pr2 0.21950 0.77840 0.31190 0.08100 0.01052 Sm2 0.21950 0.77840 0.31190 0.01400 0.01052 Na1 0.00000 0.00000 0.50000 1.00000 0.02120 Na2 0.13750 0.47190 0.17590 0.90600 0.02990 Ca2 0.13750 0.47190 0.17590 0.03900 0.02990 Na3 0.50000 0.50000 0.50000 1.00000 0.02860 Ti 0.60840 0.99963 0.19570 0.87500 0.01200 Nb 0.60840 0.99963 0.19570 0.10900 0.01200 Si 0.96220 0.85797 0.91290 1.00000 0.00850 C1 0.79210 0.35460 0.23740 1.00000 0.01360 C2 0.60110 0.65200 0.06010 1.00000 0.01250 O1 0.93390 0.75550 0.70840 1.00000 0.00970 O2 0.79390 0.91730 0.91170 1.00000 0.01090 O3 0.16290 0.91610 0.72600 1.00000 0.01070 O4 0.95750 0.84370 0.22690 1.00000 0.01150 O5 0.40700 0.91790 0.06630 1.00000 0.01100 O6 0.55070 0.91910 0.49700 1.00000 0.01150 O7 0.87180 0.38110 0.98890 1.00000 0.02120 O8 0.80800 0.40680 0.46290 1.00000 0.02650 O9 0.33280 0.37740 0.76770 1.00000 0.01780 O10 0.40230 0.39390 0.17620 1.00000 0.01950 O11 0.30720 0.73340 0.74630 1.00000 0.01430 O12 0.54620 0.73920 0.13370 1.00000 0.01300 O-H13 0.77900 0.78100 0.03300 0.11000 0.03000 H5 0.27000 0.90000 0.19000 0.07000 0.03000 H6 0.53000 0.86000 0.65000 0.07000 0.03000 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 Ce1 0.01040 0.01190 0.00770 0.00036 -0.00438 0.00224 Ce2 0.01120 0.01420 0.00620 0.00402 -0.00127 0.00148 La2 0.01120 0.01420 0.00620 0.00402 -0.00127 0.00148 Nd2 0.01120 0.01420 0.00620 0.00402 -0.00127 0.00148 Pr2 0.01120 0.01420 0.00620 0.00402 -0.00127 0.00148 Sm2 0.01120 0.01420 0.00620 0.00402 -0.00127 0.00148 Na1 0.03900 0.01200 0.01400 0.00100 0.01100 -0.00220 Na2 0.03000 0.03200 0.02700 0.00680 -0.00830 -0.00010 Ca2 0.03000 0.03200 0.02700 0.00680 -0.00830 -0.00010 Na3 0.04900 0.01900 0.01400 -0.01000 -0.01200 0.00300 Ti 0.01300 0.01330 0.00970 0.00200 -0.00370 0.00080 Nb 0.01300 0.01330 0.00970 0.00200 -0.00370 0.00080 Si 0.00960 0.01140 0.00510 0.00180 -0.00290 0.00080 C1 0.01500 0.01400 0.01300 0.00500 -0.00400 0.00100 C2 0.01000 0.01600 0.01000 0.00100 -0.00100 0.00300 O1 0.00900 0.01100 0.00900 0.00130 -0.00340 0.00120 O2 0.01200 0.01400 0.00700 0.00400 -0.00300 -0.00070 O3 0.00900 0.01300 0.00900 -0.00020 -0.00300 0.00210 O4 0.01300 0.01500 0.00700 0.00300 -0.00260 0.00300 O5 0.01200 0.01200 0.00800 0.00000 -0.00400 0.00220 O6 0.01500 0.01100 0.00700 0.00500 -0.00100 0.00250 O7 0.02700 0.01900 0.01700 -0.00200 -0.00700 0.00900 O8 0.02500 0.02800 0.02100 -0.00100 -0.00900 -0.01000 O9 0.02800 0.01600 0.01300 0.00300 -0.00900 0.00400 O10 0.02600 0.02000 0.01400 0.00300 -0.01100 -0.00300 O11 0.01400 0.01700 0.01200 -0.00100 -0.00600 0.00300 O12 0.01400 0.01400 0.01100 0.00400 -0.00300 0.00000