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: #9 Note: additional sites with low but unreported occupancies excluded ; _database_code_amcsd 0005615 _chemical_compound_source 'Saint-Amable sill, Varennes, Verchares County, Canada' _chemical_formula_sum 'Ca3.78 Mn2.28 Y.18 Ce.18 La.18 Zr2.67 Fe1.53 Ti.75 Si25.92 Nb.08 Na13.5 Sr.12 K.36 O75.144 Cl.444 H.564' _cell_length_a 14.1697 _cell_length_b 14.1697 _cell_length_c 30.142 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 5241.119 _exptl_crystal_density_diffrn 2.848 _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 0.73970 0.50000 0.63000 0.01000 MnM1 0.00000 0.73970 0.50000 0.25000 0.01000 YM1 0.00000 0.73970 0.50000 0.03000 0.01000 CeM1 0.00000 0.73970 0.50000 0.03000 0.01000 LaM1 0.00000 0.73970 0.50000 0.03000 0.01000 ZrM1 0.00000 0.73970 0.50000 0.03000 0.01000 FeM24 0.00000 0.50000 0.50000 0.31000 0.06000 FeM25 -0.03690 0.48160 0.49800 0.10000 0.02000 MnM25 -0.03690 0.48160 0.49800 0.13000 0.02000 TiM25 -0.03690 0.48160 0.49800 0.04000 0.02000 SiM3 0.00000 0.00000 0.11950 0.47300 0.04000 NbM3 0.00000 0.00000 0.11950 0.02800 0.04000 SiM3a 0.03540 0.01770 0.11790 0.07400 0.04000 NbM3a 0.03540 0.01770 0.11790 0.00400 0.04000 Si7 0.00000 0.00000 0.07840 0.25200 0.01000 SiNb7 0.00000 0.00000 0.07840 0.01300 0.01000 Na1a 0.22060 -0.22060 0.01410 0.45500 0.04000 Na1b 0.24830 -0.24830 -0.00200 0.45500 0.04000 Na4 0.56190 -0.56190 0.12000 0.92000 0.05000 SrNa4 0.56190 -0.56190 0.12000 0.02000 0.05000 KNa4 0.56190 -0.56190 0.12000 0.06000 0.05000 Na5 -0.07600 0.07600 0.00930 0.42000 0.10000 Zr 0.50000 0.50000 0.00000 0.83000 0.01000 Ti 0.50000 0.50000 0.00000 0.17000 0.01000 Si1 0.40380 -0.40380 0.08480 1.00000 0.01000 Si3 0.12520 -0.12520 0.09120 1.00000 0.01000 Si5 0.34130 0.27800 0.06990 1.00000 0.01000 O1 0.27150 -0.27150 0.08810 1.00000 0.02000 O2 0.44590 -0.44590 0.12410 1.00000 0.02000 O3 0.42940 -0.42940 0.03620 1.00000 0.03000 O7 0.23390 0.28910 0.05970 1.00000 0.03000 O8 0.15360 -0.15360 0.13800 1.00000 0.02000 O9 0.06030 -0.06030 0.09420 1.00000 0.05000 O13 0.43720 0.36470 0.03950 1.00000 0.03000 O14 0.36940 0.29290 0.12160 1.00000 0.02000 O15 0.84270 -0.84270 0.05300 1.00000 0.02000 O19 0.04890 -0.04890 0.83620 0.35000 0.06000 O20 0.00000 0.00000 0.02600 0.24000 0.02000 ClX1a 0.00000 0.00000 0.75450 0.07400 0.07000 O-HX1a 0.00000 0.00000 0.75450 0.09400 0.07000 ClX1b 0.00000 0.00000 0.73120 0.07400 0.07000 O-HX1b 0.00000 0.00000 0.73120 0.09400 0.07000 ClX1c 0.00000 0.00000 0.70110 0.07400 0.07000 O-HX1c 0.00000 0.00000 0.70110 0.09400 0.07000