data_global _chemical_name_mineral 'Nacareniobsite-(Ce)' loop_ _publ_author_name 'Sokolova E' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 1333 _journal_page_last 1342 _publ_section_title ; From structure topology to chemical composition. V. Titanium silicates: The crystal chemistry of nacareniobsite-(Ce) ; _database_code_amcsd 0019480 _chemical_compound_source 'Kvanefjeld, Ilimaussaq alkaline complex, South Greenland' _chemical_formula_sum 'Ca2.92 Ce.54 La.24 Nd.18 Pr.06 Sm.04 Gd.04 Y.04 Na2.9 Sr.04 (Nb.75 Ta.01 Ti.24) Si4 O15.24 F2.76' _cell_length_a 7.468 _cell_length_b 5.689 _cell_length_c 18.891 _cell_angle_alpha 90 _cell_angle_beta 101.37 _cell_angle_gamma 90 _cell_volume 786.841 _exptl_crystal_density_diffrn 3.537 _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 CaMH 0.09570 0.65930 0.19209 0.70000 0.01570 CeMH 0.09570 0.65930 0.19209 0.14000 0.01570 LaMH 0.09570 0.65930 0.19209 0.06000 0.01570 NdMH 0.09570 0.65930 0.19209 0.05000 0.01570 PrMH 0.09570 0.65930 0.19209 0.02000 0.01570 SmMH 0.09570 0.65930 0.19209 0.01000 0.01570 GdMH 0.09570 0.65930 0.19209 0.01000 0.01570 YMH 0.09570 0.65930 0.19209 0.01000 0.01570 CaAP 0.59740 0.66180 0.18970 0.46000 0.01390 NaAP 0.59740 0.66180 0.18970 0.25000 0.01390 SrAP 0.59740 0.66180 0.18970 0.02000 0.01390 CeAP 0.59740 0.66180 0.18970 0.13000 0.01390 LaAP 0.59740 0.66180 0.18970 0.06000 0.01390 NdAP 0.59740 0.66180 0.18970 0.04000 0.01390 PrAP 0.59740 0.66180 0.18970 0.01000 0.01390 SmAP 0.59740 0.66180 0.18970 0.01000 0.01390 GdAP 0.59740 0.66180 0.18970 0.01000 0.01390 YAP 0.59740 0.66180 0.18970 0.01000 0.01390 NbMO1 0.00000 0.00000 0.00000 0.75000 0.02060 TaMO1 0.00000 0.00000 0.00000 0.01000 0.02060 TiMO1 0.00000 0.00000 0.00000 0.24000 0.02060 NaMO2 0.50000 0.00000 0.00000 0.80000 0.04900 CaMO2 0.50000 0.00000 0.00000 0.20000 0.04900 NaMO3 0.74670 0.50050 -0.00030 0.80000 0.03380 CaMO3 0.74670 0.50050 -0.00030 0.20000 0.03380 Sil 0.34660 0.15440 0.14010 1.00000 0.01830 Si2 0.78320 0.15340 0.13833 1.00000 0.00680 O1 0.21910 0.14900 0.06240 1.00000 0.02500 O2 0.83290 0.14160 0.05860 1.00000 0.02100 O3 0.33800 0.39370 0.18380 1.00000 0.01950 O4 0.84550 0.39480 0.18090 1.00000 0.01920 O5 0.33470 0.92970 0.19130 1.00000 0.01390 O6 0.85100 0.93130 0.18940 1.00000 0.01400 O7 0.55510 0.14700 0.11960 1.00000 0.03200 OXOM 0.02020 0.70580 0.06170 0.62000 0.01680 FXOM 0.02020 0.70580 0.06170 0.38000 0.01680 F 0.52070 0.66240 0.06380 1.00000 0.02180 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 CaMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 CeMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 LaMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 NdMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 PrMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 SmMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 GdMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 YMH 0.01630 0.01350 0.01920 0.00620 0.00790 0.00390 CaAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 NaAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 SrAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 CeAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 LaAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 NdAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 PrAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 SmAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 GdAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 YAP 0.01530 0.01790 0.01100 0.00670 0.00850 0.00370 NbMO1 0.00690 0.03820 0.01530 0.00370 -0.00110 -0.02430 TaMO1 0.00690 0.03820 0.01530 0.00370 -0.00110 -0.02430 TiMO1 0.00690 0.03820 0.01530 0.00370 -0.00110 -0.02430 NaMO2 0.03200 0.05000 0.05200 0.00300 -0.01800 0.00500 CaMO2 0.03200 0.05000 0.05200 0.00300 -0.01800 0.00500 NaMO3 0.03900 0.02800 0.03600 0.01600 0.01000 0.01010 CaMO3 0.03900 0.02800 0.03600 0.01600 0.01000 0.01010 Sil 0.03400 0.00940 0.01000 0.00900 0.00040 0.00400 O1 0.02400 0.03100 0.01300 0.00100 -0.01000 0.00300 O2 0.03000 0.01800 0.01300 0.00900 0.00300 0.00700 O3 0.01200 0.01900 0.02300 0.01000 -0.00700 -0.00600 O4 0.01000 0.01800 0.02400 0.00700 -0.01000 -0.01000 O5 0.01300 0.01800 0.01200 0.01100 0.00600 0.00700 O6 0.02100 0.01200 0.01100 0.00300 0.00900 0.00400 O7 0.01600 0.05300 0.02900 0.00500 0.01200 -0.00600 OXOM 0.01200 0.02100 0.01800 0.01400 0.00600 -0.00200 FXOM 0.01200 0.02100 0.01800 0.01400 0.00600 -0.00200 F 0.02700 0.03000 0.01200 -0.00800 0.01400 0.00000