data_global _chemical_name_mineral 'Kentbrooksite' loop_ _publ_author_name 'Johnsen O' 'Grice J D' 'Gault R A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 10 _journal_year 1998 _journal_page_first 207 _journal_page_last 219 _publ_section_title ; Kentbrooksite from the Kangerdlugssuaq intrusion, East Greenland, a new Mn-REE-Nb-F end-member in a series within the eudialyte group: Description and crystal structure ; _database_code_amcsd 0006713 _chemical_compound_source 'Kangerdlugssuaq intrusion, East Greenland' _chemical_formula_sum 'Ca3.27 Mn3.68 Na14.48 Fe.79 Al.13 Mg.05 Nb.55 Zr2.93 Ti.23 Si25.1 Y.42 K.3 Sr.15 Hf.06 O75.81 F1.51 Cl.269 H.22' _cell_length_a 14.1686 _cell_length_b 14.1686 _cell_length_c 30.0847 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 5230.343 _exptl_crystal_density_diffrn 2.927 _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 0.59400 0.92570 0.16740 0.54500 0.01600 MnM1 0.59400 0.92570 0.16740 0.29670 0.01600 NaM1 0.59400 0.92570 0.16740 0.05500 0.01600 MnM2 0.81790 -0.81790 0.16930 0.63330 0.01400 FeM2 0.81790 -0.81790 0.16930 0.17330 0.01400 AlM2 0.81790 -0.81790 0.16930 0.04330 0.01400 MgM2 0.81790 -0.81790 0.16930 0.01670 0.01400 FeM2a 0.84370 -0.84370 0.16430 0.09000 0.03000 NbM3 0.00000 0.00000 -0.12810 0.55000 0.14000 ZrM3 0.00000 0.00000 -0.12810 0.12000 0.14000 TiM3 0.00000 0.00000 -0.12810 0.10000 0.14000 SiM4 0.00000 0.00000 0.07790 0.84000 0.01100 SiM4a 0.00000 0.00000 0.11670 0.26000 0.03000 Na1a 0.22230 -0.22230 0.01550 0.69220 0.03300 Na1b 0.24990 -0.24990 -0.00060 0.69220 0.06600 Na2 0.44430 -0.44430 -0.67870 0.69220 0.02200 Na3a 0.08900 -0.08900 0.20470 0.69220 0.07000 Na3b 0.11500 -0.11500 0.21560 0.69220 0.03500 Na 0.56700 -0.56700 0.12040 0.56330 0.01600 Y 0.56700 -0.56700 0.12040 0.14000 0.01600 K 0.56700 -0.56700 0.12040 0.10000 0.01600 Sr 0.56700 -0.56700 0.12040 0.05000 0.01600 Na5 0.73870 -0.73870 0.31390 0.69220 0.06300 Zr 0.49800 -0.49800 0.00000 0.93670 0.00900 Hf 0.49800 -0.49800 0.00000 0.02000 0.00900 Ti 0.49800 -0.49800 0.00000 0.04330 0.00900 Si1 0.26280 -0.26280 0.24890 1.00000 0.01400 Si2 0.40360 -0.40360 0.08750 1.00000 0.01700 Si3 0.53940 -0.53940 0.24450 1.00000 0.01100 Si4 0.12470 -0.12470 0.09200 1.00000 0.01000 Si5 0.94600 0.67640 0.26320 1.00000 0.00900 Si6 0.72300 0.06260 0.06980 1.00000 0.01000 O1 0.39520 -0.39520 0.24510 1.00000 0.02300 O2 0.22170 -0.22170 0.20770 1.00000 0.03200 O3 0.23490 -0.23490 0.29660 1.00000 0.03300 O4 0.27130 -0.27130 0.09230 1.00000 0.02900 O5 0.44720 -0.44720 0.12520 1.00000 0.03500 O6 0.09420 -0.09420 0.37130 1.00000 0.03000 O7 0.60980 0.03800 0.27420 1.00000 0.01500 O8 0.51600 -0.51600 0.19590 1.00000 0.01500 O9 0.60440 -0.60440 0.24840 1.00000 0.02300 O10 0.71600 0.94530 0.05980 1.00000 0.02500 O11 0.15510 -0.15510 0.13850 1.00000 0.01700 O12 0.05960 -0.05960 0.10040 1.00000 0.03600 O13 0.30200 0.89790 -0.62680 1.00000 0.02200 O14 0.70370 0.07430 0.12110 1.00000 0.01500 O15 0.84350 -0.84350 0.05290 1.00000 0.01500 O16 0.74980 0.77550 0.29430 1.00000 0.02100 O17 0.96070 0.70370 0.21070 1.00000 0.01800 O18 0.82030 -0.82030 0.27800 1.00000 0.01300 O19 0.72990 -0.72990 0.17060 0.88670 0.02100 O20 0.00000 0.00000 0.02470 0.93000 0.02100 F1a 0.00000 0.00000 -0.26260 0.13730 0.06000 Cl1a 0.00000 0.00000 -0.26260 0.02450 0.06000 O-H1a 0.00000 0.00000 -0.26260 0.02000 0.06000 F1b 0.04760 0.09530 -0.25920 0.13730 0.06000 Cl1b 0.04760 0.09530 -0.25920 0.02450 0.06000 O-H1b 0.04760 0.09530 -0.25920 0.02000 0.06000 F2a 0.00000 0.00000 0.23970 0.13730 0.06000 Cl2a 0.00000 0.00000 0.23970 0.02450 0.06000 O-H2a 0.00000 0.00000 0.23970 0.02000 0.06000 F2b 0.00000 0.00000 0.20970 0.13730 0.06000 Cl2b 0.00000 0.00000 0.20970 0.02450 0.06000 O-H2b 0.00000 0.00000 0.20970 0.02000 0.06000 F2c 0.02140 0.04280 0.29380 0.13730 0.06000 Cl2c 0.02140 0.04280 0.29380 0.02450 0.06000 O-H2c 0.02140 0.04280 0.29380 0.02000 0.06000 F2d 0.00000 0.00000 0.26350 0.13730 0.06000 Cl2d 0.00000 0.00000 0.26350 0.02450 0.06000 O-H2d 0.00000 0.00000 0.26350 0.02000 0.06000 F2e 0.00000 0.00000 0.17360 0.13730 0.06000 Cl2e 0.00000 0.00000 0.17360 0.02450 0.06000 O-H2e 0.00000 0.00000 0.17360 0.02000 0.06000