data_global _chemical_name_mineral 'Taseqite' loop_ _publ_author_name 'Petersen O V' 'Johnsen O' 'Gault R A' 'Niedermayr G' 'Grice J D' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 2004 _journal_year 2004 _journal_page_first 83 _journal_page_last 96 _publ_section_title ; Taseqite, a new member of the eudialyte group from the Ilimaussaq alkaline complex, South Greenland Locality: Ilimaussaq alkaline complex, South Greenland Note: water and OHs located at O20 and O21 ; _chemical_formula_sum 'Ca5.151 Mn1.503 Sr3.87 Y.138 Fe1.932 Nb1.27 Si24.45 Na10.65 K.171 Zr2.88 Hf.051 Sn.03 O76.401 Cl1.74' _cell_length_a 14.2828 _cell_length_b 14.2828 _cell_length_c 30.0222 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 5303.955 _exptl_crystal_density_diffrn 3.159 _symmetry_space_group_name_H-M 'R 3 m' loop_ _symmetry_equiv_pos_as_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 CaM1 0.40490 0.07360 0.83240 0.83000 MnM1 0.40490 0.07360 0.83240 0.09700 SrM1 0.40490 0.07360 0.83240 0.05000 YM1 0.40490 0.07360 0.83240 0.02300 FeM25 0.18430 0.81570 0.83020 0.41700 MnM25 0.18430 0.81570 0.83020 0.30700 FeM24 0.16140 0.83860 0.83620 0.22700 NbM3 0.00000 0.00000 0.13170 0.97000 SiM4 0.00000 0.00000 0.92260 0.45000 NbM4a 0.00000 0.00000 0.87140 0.30000 NaN1 0.76410 0.23590 0.99330 0.88700 KN1 0.76410 0.23590 0.99330 0.05700 CaN1 0.76410 0.23590 0.99330 0.05700 NaN2 0.56300 0.43700 0.67600 1.02300 NaN3 0.90320 0.09680 0.78500 0.63300 SrN3 0.90320 0.09680 0.78500 0.36700 SrN4 0.43350 0.56650 0.88240 0.82300 NaN4 0.43350 0.56650 0.88240 0.17700 NaN5 0.26540 0.73460 0.68850 0.85300 Zr 0.50240 0.49760 0.00000 0.96000 Hf 0.50240 0.49760 0.00000 0.01700 Sn 0.50240 0.49760 0.00000 0.01000 Si2 0.73710 0.26290 0.75010 1.00000 Si3 0.59660 0.40340 0.91370 1.00000 Si4 0.46000 0.54000 0.75550 1.00000 Si5 0.87580 0.12420 0.90840 1.00000 Si6 0.05680 0.32750 0.73580 1.00000 Si7 0.27510 -0.06200 0.93080 1.00000 O1 0.60560 0.39440 0.75300 1.00000 O2 0.77820 0.22180 0.78980 1.00000 O3 0.76460 0.23540 0.70090 1.00000 O4 0.72870 0.27130 0.90760 1.00000 O5 0.55090 0.44910 0.87680 1.00000 O6 0.90710 0.09290 0.63020 1.00000 O7 0.38940 -0.04000 0.72510 1.00000 O8 0.48520 0.51480 0.80470 1.00000 O9 0.39600 0.60400 0.75380 1.00000 O10 0.28250 0.05470 0.94060 1.00000 O11 0.84670 0.15330 0.86150 1.00000 O12 0.94080 0.05920 0.90250 1.00000 O13 0.70070 0.10300 0.62510 1.00000 O14 0.29040 0.92430 0.87890 1.00000 O15 0.15770 0.84230 0.94960 1.00000 O16 0.25370 0.22670 0.70650 1.00000 O17 0.04710 0.30440 0.78810 1.00000 O18 0.17930 0.82070 0.71950 1.00000 O19 0.26930 0.73070 0.83260 0.92700 Cl1aX 0.00000 0.00000 0.27220 0.91000 Cl2aX 0.00000 0.00000 0.72630 0.41500 O20 0.00000 0.00000 0.97330 0.50000 O20a 0.00000 0.00000 0.02300 0.22000 O21 -0.14300 -0.07150 0.83290 0.30000 Cl2bX 0.00000 0.00000 0.75900 0.41500 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 CaM1 0.01400 0.01300 0.01700 0.00100 -0.00100 0.00700 MnM1 0.01400 0.01300 0.01700 0.00100 -0.00100 0.00700 SrM1 0.01400 0.01300 0.01700 0.00100 -0.00100 0.00700 YM1 0.01400 0.01300 0.01700 0.00100 -0.00100 0.00700 FeM25 0.00900 0.00900 0.01300 0.00000 0.00000 0.00200 MnM25 0.00900 0.00900 0.01300 0.00000 0.00000 0.00200 FeM24 0.03900 0.03900 0.00900 0.00000 0.00000 -0.01400 NbM3 0.01000 0.01000 0.02300 0.00000 0.00000 0.00500 SiM4 0.01000 0.01000 0.02600 0.00000 0.00000 0.00500 NbM4a 0.03700 0.03700 0.11900 0.00000 0.00000 0.01900 NaN1 0.04600 0.04600 0.05800 0.03400 -0.03400 -0.01300 KN1 0.04600 0.04600 0.05800 0.03400 -0.03400 -0.01300 CaN1 0.04600 0.04600 0.05800 0.03400 -0.03400 -0.01300 NaN2 0.03000 0.03000 0.03900 0.01100 -0.01100 0.00100 NaN3 0.01800 0.01800 0.03000 -0.00200 0.00200 0.00100 SrN3 0.01800 0.01800 0.03000 -0.00200 0.00200 0.00100 SrN4 0.01200 0.01200 0.02100 0.00000 0.00000 0.00400 NaN4 0.01200 0.01200 0.02100 0.00000 0.00000 0.00400 NaN5 0.10600 0.10600 0.08200 -0.00200 0.00200 0.06200 Zr 0.00900 0.00900 0.01400 0.00000 0.00000 0.00500 Hf 0.00900 0.00900 0.01400 0.00000 0.00000 0.00500 Sn 0.00900 0.00900 0.01400 0.00000 0.00000 0.00500 Si2 0.01500 0.01500 0.01600 0.00300 -0.00300 0.01000 Si3 0.01300 0.01300 0.01500 -0.00200 0.00200 0.00600 Si4 0.01200 0.01200 0.01900 0.00100 -0.00100 0.00600 Si5 0.01200 0.01200 0.02300 0.00200 -0.00200 0.00200 Si6 0.01300 0.01200 0.01700 -0.00200 -0.00200 0.00700 Si7 0.01200 0.01000 0.01500 0.00000 0.00000 0.00500 O1 0.02000 0.02000 0.03400 0.00600 -0.00600 0.01700 O2 0.02400 0.02400 0.03900 0.01200 -0.01200 0.00600 O3 0.03000 0.03000 0.02600 -0.00500 0.00500 0.01700 O4 0.01200 0.01200 0.03700 -0.00600 0.00600 0.00100 O5 0.01900 0.01900 0.02500 0.00200 -0.00200 0.01300 O6 0.02000 0.02000 0.01000 -0.00200 0.00200 0.01400 O7 0.01000 0.01600 0.03100 0.00300 -0.00300 0.00800 O8 0.01700 0.01700 0.01900 0.00600 -0.00600 0.00200 O9 0.02700 0.02700 0.03200 -0.00500 0.00500 0.01700 O10 0.05900 0.02300 0.02400 -0.01000 -0.01200 0.03000 O11 0.01800 0.01800 0.03100 0.00300 -0.00300 0.00800 O12 0.03900 0.03900 0.07400 0.00500 -0.00500 0.03100 O13 0.01400 0.02400 0.03500 -0.00200 -0.00400 0.01300 O14 0.01600 0.01300 0.02700 -0.00600 -0.00100 0.00400 O15 0.01200 0.01200 0.02400 -0.00200 0.00200 -0.00500 O16 0.02200 0.01900 0.02800 -0.00300 0.00100 0.01300 O17 0.02400 0.03000 0.00400 -0.00400 0.00200 0.01500 O18 0.01600 0.01600 0.02700 0.00000 0.00000 0.00800 O19 0.01700 0.01700 0.03700 -0.00300 0.00300 0.00900 Cl1aX 0.02600 0.02600 0.03000 0.00000 0.00000 0.01300 Cl2aX 0.03800 0.03800 0.03500 0.00000 0.00000 0.01900