data_global _chemical_name_mineral 'Kochite' loop_ _publ_author_name 'Christiansen C C' 'Gault R A' 'Grice J D' 'Johnsen O' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 551 _journal_page_last 554 _publ_section_title ; Kochite, a new member of the rosenbuschite group from the Werner Bjerge alkaline complex, East Greenland ; _database_code_amcsd 0006999 _chemical_compound_source 'Werner Bjerge alkaline complex, East Greenland' _chemical_formula_sum 'Zr1.31 Ca3.27 Fe.24 Mn1.1 Ce.08 Y.04 Na6.91 Ti.87 Nb.1 Si8 O30.4 F5.6' _cell_length_a 10.032 _cell_length_b 11.333 _cell_length_c 7.202 _cell_angle_alpha 90.192 _cell_angle_beta 100.334 _cell_angle_gamma 111.551 _cell_volume 747.070 _exptl_crystal_density_diffrn 3.037 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-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 ZrM1a 0.35449 0.28056 0.08802 0.64000 0.00800 CaM1a 0.35449 0.28056 0.08802 0.20000 0.00800 FeM1a 0.35449 0.28056 0.08802 0.12000 0.00800 MnM1b 0.36178 0.78504 0.09042 0.55000 0.01200 CaM1b 0.36178 0.78504 0.09042 0.39000 0.01200 CeM1b 0.36178 0.78504 0.09042 0.04000 0.01200 YM1b 0.36178 0.78504 0.09042 0.02000 0.01200 NaM2a 0.00670 0.25331 0.75520 0.75000 0.01300 CaM2a 0.00670 0.25331 0.75520 0.25000 0.01300 NaM2b 0.99570 0.25052 0.24400 0.56000 0.01580 CaM2b 0.99570 0.25052 0.24400 0.44000 0.01580 NaM3a 0.35900 0.28910 0.58850 0.74000 0.01700 CaM3a 0.35900 0.28910 0.58850 0.26000 0.01700 NaM3b 0.36713 0.79231 0.58900 0.96000 0.01430 CaM3b 0.36713 0.79231 0.58900 0.04000 0.01430 NaM4a 0.00000 0.00000 0.50000 0.43000 0.01480 CaM4a 0.00000 0.00000 0.50000 0.07000 0.01480 NaM4b 0.00000 0.50000 0.50000 0.46000 0.01710 CaM4b 0.00000 0.50000 0.50000 0.04000 0.01710 TiM5a 0.00000 0.00000 0.00000 0.41000 0.01100 NbM5a 0.00000 0.00000 0.00000 0.06000 0.01100 ZrM5a 0.00000 0.00000 0.00000 0.03000 0.01100 TiM5b 0.00000 0.50000 0.00000 0.46000 0.02100 NbM5b 0.00000 0.50000 0.00000 0.04000 0.02100 Si1a 0.28630 0.01265 0.34520 1.00000 0.00890 Si2a 0.28240 0.01179 0.79180 1.00000 0.00920 Si1b 0.28860 0.51144 0.34460 1.00000 0.00800 Si2b 0.28800 0.50965 0.79390 1.00000 0.00830 O1a 0.26290 0.02140 0.56380 1.00000 0.03190 O1b 0.26500 0.49490 0.56430 1.00000 0.02600 O2a 0.38070 0.15890 0.31080 1.00000 0.01640 O2b 0.38860 0.65760 0.33060 1.00000 0.01670 O3a 0.38290 0.15460 0.88030 1.00000 0.02080 O3b 0.39960 0.65310 0.86370 1.00000 0.01790 O4a 0.36460 0.91490 0.32620 1.00000 0.02170 O4b 0.35890 0.40880 0.30260 1.00000 0.01920 O5a 0.34510 0.90410 0.84850 1.00000 0.02800 O5b 0.34380 0.39870 0.86880 1.00000 0.02090 O6a 0.12150 0.96290 0.22150 1.00000 0.01570 O6b 0.12410 0.46880 0.22340 1.00000 0.01400 O7a 0.11660 0.96840 0.82680 1.00000 0.01650 O7b 0.12520 0.47810 0.83330 1.00000 0.01580 OX8a 0.12770 0.18400 0.03610 0.70000 0.01110 FX8a 0.12770 0.18400 0.03610 0.30000 0.01110 OX8b 0.11590 0.68530 0.03360 0.50000 0.02370 FX8b 0.11590 0.68530 0.03360 0.50000 0.02370 F9a 0.11440 0.20860 0.52350 1.00000 0.02080 F9b 0.12200 0.70630 0.52790 1.00000 0.02260