data_global _chemical_name_mineral 'Eudialyte' loop_ _publ_author_name 'Johnsen O' 'Grice J D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 37 _journal_year 1999 _journal_page_first 865 _journal_page_last 891 _publ_section_title ; The crystal chemistry of the eudialyte group Sample: #2 ; _database_code_amcsd 0005608 _chemical_compound_source 'Mont Saint-Hilaire, Rouville County, Quebec, Canada' _chemical_formula_sum 'Ca4.68 Mn1.86 Y.18 Ce.45 La.33 Fe2.28 Nb.62 Ta.04 Ti.06 Si25.12 Na13.02 Nd.12 K.3 Sr.12 Zr3 O78.494 Cl.764 H1.244' _cell_length_a 14.2277 _cell_length_b 14.2277 _cell_length_c 29.987 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 5256.940 _exptl_crystal_density_diffrn 3.044 _symmetry_space_group_name_H-M 'R 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 CaM1 0.59430 0.92590 0.16720 0.74000 0.01500 MnM1 0.59430 0.92590 0.16740 0.21000 0.01500 YM1 0.59430 0.92590 0.16740 0.03000 0.01500 CeM1 0.59430 0.92590 0.16740 0.01000 0.01500 LaM1 0.59430 0.92590 0.16740 0.01000 0.01500 MnM25 0.82010 0.17990 0.16930 0.20000 0.01500 FeM25 0.82010 0.17990 0.16930 0.59000 0.01500 FeM24 0.84110 0.15890 0.16470 0.17000 0.03000 NbM3 0.00000 0.00000 -0.13010 0.53000 0.01500 TaM3 0.00000 0.00000 -0.13010 0.03500 0.01500 TiM3 0.00000 0.00000 -0.13010 0.05000 0.01500 NbM3a 0.00000 0.00000 -0.11750 0.09000 0.01500 TaM3a 0.00000 0.00000 -0.11750 0.00500 0.01500 TiM3a 0.00000 0.00000 -0.11750 0.01000 0.01500 SiM3b 0.00000 0.00000 -0.07990 0.12000 0.01500 Si7 0.00000 0.00000 -0.07890 0.67000 0.01000 Si7a 0.00000 0.00000 0.11980 0.33000 0.03000 Na1a 0.22510 0.77490 0.01280 0.46000 0.03500 Na1b 0.25770 0.74230 -0.00630 0.46000 0.03500 Na2 0.43970 0.56030 -0.67630 0.98000 0.02500 Na3a 0.08830 0.91170 0.20750 0.48000 0.07500 CeNa3a 0.08830 0.91170 0.20750 0.01000 0.07500 LaNa3a 0.08830 0.91170 0.20750 0.00500 0.07500 NdNa3a 0.08830 0.91170 0.20750 0.00500 0.07500 Na3b 0.10640 0.89360 0.21490 0.48000 0.07500 CeNa3b 0.10640 0.89360 0.21490 0.01000 0.07500 LaNa3b 0.10640 0.89360 0.21490 0.00500 0.07500 NdNa3b 0.10640 0.89360 0.21490 0.00500 0.07500 Na4 0.56620 0.43380 0.11960 0.56000 0.01500 CeNa4 0.56620 0.43380 0.11960 0.11000 0.01500 LaNa4 0.56620 0.43380 0.11960 0.08000 0.01500 NdNa4 0.56620 0.43380 0.11960 0.03000 0.01500 KNa4 0.56620 0.43380 0.11960 0.10000 0.01500 CaNa4 0.56620 0.43380 0.11960 0.08000 0.01500 SrNa4 0.56620 0.43380 0.11960 0.04000 0.01500 Na5 0.73990 0.26010 0.31680 0.92000 0.06500 Zr 0.49790 0.50210 0.00000 1.00000 0.01000 Si1 0.26300 0.73700 0.24930 1.00000 0.01500 Si2 0.40360 0.59640 0.08650 1.00000 0.01500 Si3 0.54030 0.45970 0.24340 1.00000 0.01000 Si4 0.12380 0.87620 0.09260 1.00000 0.01000 Si5 0.94410 0.67460 0.26300 1.00000 0.01000 Si6 0.72380 0.06260 0.06980 1.00000 0.01000 O1 0.39460 0.60540 0.24580 1.00000 0.02500 O2 0.22100 0.77900 0.20970 1.00000 0.03500 O3 0.23670 0.76330 0.29860 1.00000 0.03500 O4 0.27110 0.72890 0.09270 1.00000 0.03000 O5 0.44880 0.55120 0.12370 1.00000 0.03500 O6 0.09220 0.90780 0.36980 1.00000 0.03000 O7 0.61160 0.04180 0.27360 1.00000 0.01500 O8 0.51530 0.48470 0.19490 1.00000 0.01500 O9 0.60470 0.39530 0.24650 1.00000 0.02500 O10 0.71950 0.94710 0.05050 1.00000 0.02500 O11 0.15460 0.84540 0.13900 1.00000 0.02000 O12 0.05940 0.94060 0.10070 1.00000 0.03500 O13 0.30010 0.89880 -0.62630 1.00000 0.02000 O14 0.70760 0.07740 0.12190 1.00000 0.01500 O15 0.84140 0.15860 0.05220 1.00000 0.01500 O16 0.74610 0.77360 0.29290 1.00000 0.02000 O17 0.95660 0.70100 0.21060 1.00000 0.01500 O18 0.82030 0.17970 0.28000 1.00000 0.01500 O19 -0.72970 0.27030 0.16940 0.75000 0.02000 O20 0.00000 0.00000 0.02600 0.75000 0.02000 ClX1a 0.00000 0.00000 0.73720 0.11000 0.03000 O-HX1a 0.00000 0.00000 0.73720 0.14000 0.03000 ClX1b 0.04850 0.09710 -0.25940 0.03700 0.03000 O-HX1b 0.04850 0.09710 -0.25940 0.04700 0.03000 ClX1c 0.05020 0.10050 -0.22830 0.03700 0.03000 O-HX1c 0.05020 0.10050 -0.22830 0.04700 0.03000 ClX1d 0.02410 0.04820 -0.20330 0.03700 0.03000 O-HX1d 0.02410 0.04820 -0.20330 0.04700 0.03000 ClX2a 0.00000 0.00000 0.24370 0.08000 0.03000 O-HX2a 0.00000 0.00000 0.24370 0.17000 0.03000 ClX2b 0.00000 0.00000 0.17320 0.08000 0.03000 O-HX2b 0.00000 0.00000 0.17320 0.17000 0.03000 ClX2c 0.01750 0.03500 0.29310 0.02700 0.03000 O-HX2c 0.01750 0.03500 0.29310 0.05700 0.03000 ClX2d 0.00000 0.00000 0.26270 0.08000 0.03000 O-HX2d 0.00000 0.00000 0.26270 0.17000 0.03000