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: #8 Note: additional sites with low but unreported occupancies excluded ; _database_code_amcsd 0005614 _chemical_compound_source 'Kipawa alkaline complex, Villedieu township, Temiscaminque County, Quebec, Canada' _chemical_formula_sum 'Ca6.42 Y.78 Ce.24 La.06 Nd.06 Gd.06 Dy.06 Er.06 Yb.06 Sr.06 Fe1.56 Mn.54 Mg.096 Si25.62 Ti.22 Nb.16 Na12.324 K.42 Zr3 O75.13 Cl.96 F.534 H.51' _cell_length_a 14.225 _cell_length_b 14.225 _cell_length_c 30.302 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 5310.146 _exptl_crystal_density_diffrn 2.914 _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' '-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' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,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 0.00000 0.73840 0.50000 0.79000 0.01000 YM1 0.00000 0.73840 0.50000 0.13000 0.01000 CeM1 0.00000 0.73840 0.50000 0.02000 0.01000 LaM1 0.00000 0.73840 0.50000 0.01000 0.01000 NdM1 0.00000 0.73840 0.50000 0.01000 0.01000 GdM1 0.00000 0.73840 0.50000 0.01000 0.01000 DyM1 0.00000 0.73840 0.50000 0.01000 0.01000 ErM1 0.00000 0.73840 0.50000 0.01000 0.01000 YbM1 0.00000 0.73840 0.50000 0.01000 0.01000 SrM1 0.00000 0.73840 0.50000 0.01000 0.01000 FeM24 0.00000 0.50000 0.50000 0.44000 0.06400 MnM24 0.00000 0.50000 0.50000 0.18000 0.06400 FeM25 -0.06070 0.46970 0.49790 0.04000 0.02000 MgM25 -0.06070 0.46970 0.49790 0.01600 0.02000 SiM3 0.00000 0.00000 0.12010 0.61000 0.03900 TiM3 0.00000 0.00000 0.12010 0.08000 0.03900 NbM3 0.00000 0.00000 0.12010 0.06000 0.03900 Si7 0.00000 0.00000 0.07820 0.20000 0.01300 TiSi7 0.00000 0.00000 0.07820 0.03000 0.01300 NbSi7 0.00000 0.00000 0.07820 0.02000 0.01300 Na1a 0.22600 -0.22600 0.01100 0.48700 0.04400 Na1b 0.25310 -0.25310 -0.00450 0.48700 0.04400 Na4 0.56450 -0.56450 0.11770 0.63000 0.05300 CaNa4 0.56450 -0.56450 0.11770 0.28000 0.05300 KNa4 0.56450 -0.56450 0.11770 0.07000 0.05300 CeNa4 0.56450 -0.56450 0.11770 0.02000 0.05300 Na5 -0.07320 0.07320 0.01170 0.45000 0.10700 Zr 0.50000 0.50000 0.00000 1.00000 0.01100 Si1 0.40350 -0.40350 0.08470 1.00000 0.01100 Si3 0.12520 -0.12520 0.09090 1.00000 0.01400 Si5 0.34100 0.27780 0.06980 1.00000 0.01200 O1 0.27170 -0.27170 0.08840 1.00000 0.02200 O2 0.44590 -0.44590 0.12390 1.00000 0.02400 O3 0.42900 -0.42900 0.03630 1.00000 0.02700 O7 0.23190 0.28570 0.06020 1.00000 0.02700 O8 0.15310 -0.15310 0.13800 1.00000 0.02100 O9 0.06020 -0.06020 0.09350 1.00000 0.05500 O13 0.43640 0.36310 0.03930 1.00000 0.02800 O14 0.37080 0.29650 0.12100 1.00000 0.02300 O15 0.84350 -0.84350 0.05420 1.00000 0.02100 O19 0.05830 -0.05830 0.83760 0.34000 0.06100 O20 0.00000 0.00000 0.02650 0.29000 0.02400 ClX1a 0.00000 0.00000 0.73730 0.09600 0.06900 FX1a 0.00000 0.00000 0.73730 0.05300 0.06900 O-HX1a 0.00000 0.00000 0.73730 0.05100 0.06900 ClX1b 0.04880 -0.04880 0.74520 0.03200 0.03000 FX1b 0.04880 -0.04880 0.74520 0.01800 0.03000 O-HX1b 0.04880 -0.04880 0.74520 0.01700 0.03000 ClX1c 0.05000 -0.05000 0.79370 0.03200 0.03000 FX1c 0.05000 -0.05000 0.79370 0.01800 0.03000 O-HX1c 0.05000 -0.05000 0.79370 0.01700 0.03000 ClX1d 0.00000 0.00000 0.80030 0.09600 0.03000 FX1d 0.00000 0.00000 0.80030 0.05300 0.03000 O-HX1d 0.00000 0.00000 0.80030 0.05100 0.03000 ClX1e 0.00000 0.00000 0.69080 0.09600 0.03000 FX1e 0.00000 0.00000 0.69080 0.05300 0.03000 O-HX1e 0.00000 0.00000 0.69080 0.05100 0.03000