data_global _chemical_name_mineral 'Oneillite' 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: #5 ; _database_code_amcsd 0005611 _chemical_compound_source 'Mont Saint-Hilaire, Rouville County, Quebec, Canada' _chemical_formula_sum 'Mn3.72 Y.24 Ca1.77 Ce1.08 La.63 Nd.33 Na13.59 Fe1.425 Zr3.18 Nb.93 Si25 Pr.09 K.195 O76.769 Cl.721 H1.269' _cell_length_a 14.2084 _cell_length_b 14.2084 _cell_length_c 29.959 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 5237.792 _exptl_crystal_density_diffrn 3.166 _symmetry_space_group_name_H-M 'R 3' 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' '-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 MnM1a 0.39370 0.06400 0.83280 0.92000 0.01200 YM1a 0.39370 0.06400 0.83280 0.08000 0.01200 CaM1b 0.42140 0.33280 0.83250 0.59000 0.01700 CeM1b 0.42140 0.33280 0.83250 0.10000 0.01700 LaM1b 0.42140 0.33280 0.83250 0.06000 0.01700 NdM1b 0.42140 0.33280 0.83250 0.03000 0.01700 NaM1b 0.42140 0.33280 0.83250 0.22000 0.01700 FeM25 0.17410 0.81080 0.83020 0.38000 0.01300 MnM25 0.17410 0.81080 0.83020 0.32000 0.01300 ZrM25 0.17410 0.81080 0.83020 0.08000 0.01300 FeM24 0.14350 0.83550 0.83470 0.09500 0.02300 NbM3 0.00000 0.00000 0.12930 0.87000 0.01200 Si7 0.00000 0.00000 0.92050 0.80000 0.01000 Si7a 0.00000 0.00000 0.87280 0.20000 0.02600 Na1a 0.74000 0.24900 0.00350 0.46500 0.04600 Na1b 0.77080 0.21960 0.98630 0.46500 0.03000 Na2 0.55440 0.43230 0.67600 1.00000 0.04400 Na3 0.89840 0.10380 0.78800 0.94000 0.06400 CeNa3 0.89840 0.10380 0.78800 0.03000 0.06400 LaNa3 0.89840 0.10380 0.78800 0.02000 0.06400 NdNa3 0.89840 0.10380 0.78800 0.01000 0.06400 Na4 0.44050 0.56960 0.88000 0.48000 0.01400 CeNa4 0.44050 0.56960 0.88000 0.23000 0.01400 LaNa4 0.44050 0.56960 0.88000 0.13000 0.01400 NdNa4 0.44050 0.56960 0.88000 0.07000 0.01400 PrNa4 0.44050 0.56960 0.88000 0.03000 0.01400 KNa4 0.44050 0.56960 0.88000 0.06500 0.01400 Na5 0.27380 0.75150 0.68520 0.96000 0.05500 Zr 0.51190 0.50520 0.00000 0.98000 0.00900 Nb 0.51190 0.50520 0.00000 0.02000 0.00900 Si1 0.74870 0.27480 0.75180 1.00000 0.01100 Si2 0.60920 0.41580 0.91200 1.00000 0.01300 Si3 0.46190 0.54120 0.75540 1.00000 0.01200 Si4 0.87510 0.12120 0.90730 1.00000 0.01300 Si5a 0.06110 0.32580 0.73700 1.00000 0.01000 Si5b 0.04860 0.72500 0.73700 1.00000 0.01100 Si6a 0.26670 -0.06730 0.92990 1.00000 0.01100 Si6b 0.05610 0.71340 0.93050 1.00000 0.01000 O1 0.59840 0.38800 0.75400 1.00000 0.02100 O2 0.79700 0.24100 0.79170 1.00000 0.02100 O3 0.77940 0.24830 0.70280 1.00000 0.02400 O4 0.71500 0.25930 0.90520 1.00000 0.02000 O5 0.56810 0.46900 0.87550 1.00000 0.02900 O6 0.92320 0.10500 0.62930 1.00000 0.02200 O7a 0.38440 -0.04380 0.72480 1.00000 0.01700 O7b 0.39700 0.42740 0.72690 1.00000 0.01900 O8 0.49280 0.52390 0.80470 1.00000 0.02100 O9 0.39270 0.60080 0.75070 1.00000 0.02600 O10a 0.25920 0.04180 0.94040 1.00000 0.02600 O10b -0.06050 0.70550 0.93930 1.00000 0.01400 O11 0.85260 0.16280 0.86140 1.00000 0.01900 O12 0.91780 0.03590 0.89860 1.00000 0.02300 O13a 0.71110 0.10810 0.62520 1.00000 0.02300 O13b 0.35920 -0.06710 0.95990 1.00000 0.02500 O14a 0.28620 0.92270 0.87740 1.00000 0.01400 O14b 0.06890 0.69350 0.87850 1.00000 0.01700 O15 0.15260 0.83410 0.94750 1.00000 0.01900 O16a 0.25590 0.22510 0.70460 1.00000 0.02000 O16b -0.02110 0.22360 0.70740 1.00000 0.01800 O17a 0.04480 0.29800 0.78910 1.00000 0.01800 O17b 0.03500 0.73690 0.78920 1.00000 0.01900 O18 0.17340 0.81330 0.72180 1.00000 0.01600 O19 0.26520 0.72760 0.83080 0.90000 0.02500 O20 0.00000 0.00000 0.97330 0.80000 0.01400 ClX1a 0.00000 0.00000 0.26600 0.14000 0.03000 O-HX1a 0.00000 0.00000 0.26600 0.19000 0.03000 ClX1b -0.05080 0.05060 0.25970 0.04700 0.03000 O-HX1b -0.05080 0.05060 0.25970 0.06300 0.03000 ClX1c 0.00000 0.00000 0.21530 0.14000 0.03000 O-HX1c 0.00000 0.00000 0.21530 0.19000 0.03000 ClX2a 0.00000 0.00000 0.75430 0.07500 0.03000 O-HX2a 0.00000 0.00000 0.75430 0.17500 0.03000 ClX2b 0.00000 0.00000 0.78970 0.07500 0.03000 O-HX2b 0.00000 0.00000 0.78970 0.17500 0.03000 ClX2c 0.00000 0.00000 0.71170 0.07500 0.03000 O-HX2c 0.00000 0.00000 0.71170 0.17500 0.03000 ClX2d 0.00000 0.00000 0.82190 0.07500 0.03000 O-HX2d 0.00000 0.00000 0.82190 0.17500 0.03000