data_global _chemical_name_mineral 'Rosenbuschite' loop_ _publ_author_name 'Christiansen C C' 'Johnsen O' 'Makovicky E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 1203 _journal_page_last 1224 _publ_section_title ; Crystal chemistry of the rosenbuschite group Sample: LF-A5 ; _database_code_amcsd 0005887 _chemical_compound_source 'Langesund Fjord, Norway' _chemical_formula_sum 'Zr2.45 Ca7.905 Hf.04 Mn.22 Y.15 Ce.03 Na3.975 Ti.95 Nb.17 Fe.11 Si8 O29.96 F6.04' _cell_length_a 10.137 _cell_length_b 11.398 _cell_length_c 7.2714 _cell_angle_alpha 90.216 _cell_angle_beta 100.308 _cell_angle_gamma 111.868 _cell_volume 764.826 _exptl_crystal_density_diffrn 3.375 _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 0.35393 0.28239 0.08742 0.84000 0.01060 CaM1a 0.35393 0.28239 0.08742 0.14000 0.01060 HfM1a 0.35393 0.28239 0.08742 0.02000 0.01060 CaM1b 0.36430 0.78976 0.08980 0.80000 0.01310 MnM1b 0.36430 0.78976 0.08980 0.11000 0.01310 YM1b 0.36430 0.78976 0.08980 0.07500 0.01310 CeM1b 0.36430 0.78976 0.08980 0.01500 0.01310 NaM2a 0.00560 0.25490 0.75460 0.57500 0.02490 CaM2a 0.00560 0.25490 0.75460 0.42500 0.02490 CaM2b 0.99570 0.25240 0.24570 0.53000 0.02350 NaM2b 0.99570 0.25240 0.24570 0.47000 0.02350 CaM3a 0.35760 0.28840 0.58870 0.74500 0.01900 NaM3a 0.35760 0.28840 0.58870 0.25500 0.01900 CaM3b 0.36850 0.79250 0.58990 0.94500 0.01760 NaM3b 0.36850 0.79250 0.58990 0.05500 0.01760 NaM4a 0.00000 0.00000 0.50000 0.40500 0.01560 CaM4a 0.00000 0.00000 0.50000 0.59500 0.01560 NaM4b 0.00000 0.50000 0.50000 0.86000 0.02500 CaM4b 0.00000 0.50000 0.50000 0.14000 0.02500 ZrM5a 0.00000 0.00000 0.00000 0.67000 0.01200 TiM5a 0.00000 0.00000 0.00000 0.25000 0.01200 NbM5a 0.00000 0.00000 0.00000 0.08000 0.01200 TiM5b 0.00000 0.50000 0.00000 0.70000 0.01990 FeM5b 0.00000 0.50000 0.00000 0.11000 0.01990 ZrM5b 0.00000 0.50000 0.00000 0.10000 0.01990 NbM5b 0.00000 0.50000 0.00000 0.09000 0.01990 Si1a 0.28690 0.01480 0.34820 1.00000 0.01120 Si2a 0.28230 0.01280 0.78950 1.00000 0.01110 Si1b 0.28950 0.51210 0.34660 1.00000 0.01210 Si2b 0.28870 0.50920 0.79250 1.00000 0.01230 O1a 0.26680 0.03200 0.56480 1.00000 0.03000 O1b 0.26590 0.49470 0.56400 1.00000 0.03500 O2a 0.37850 0.15950 0.30660 1.00000 0.01750 O2b 0.39050 0.65830 0.33600 1.00000 0.01860 O3a 0.37850 0.15570 0.88460 1.00000 0.02170 O3b 0.40240 0.65330 0.86090 1.00000 0.01930 O4a 0.36500 0.91660 0.33570 1.00000 0.02490 O4b 0.35850 0.40960 0.30200 1.00000 0.02490 O5a 0.34520 0.90640 0.83870 1.00000 0.02430 O5b 0.34440 0.39840 0.86800 1.00000 0.02430 O6a 0.12360 0.96160 0.22790 1.00000 0.02250 O6b 0.12500 0.47070 0.22720 1.00000 0.02240 O7a 0.11660 0.96660 0.81940 1.00000 0.01950 O7b 0.12850 0.47990 0.83200 1.00000 0.02430 FX8a 0.13080 0.18900 0.03650 0.51000 0.01460 OX8a 0.13080 0.18900 0.03650 0.49000 0.01460 FX8b 0.11290 0.68640 0.03310 0.51000 0.03030 OX8b 0.11290 0.68640 0.03310 0.49000 0.03030 F9a 0.11190 0.20890 0.52390 1.00000 0.02870 F9a 0.12180 0.70540 0.52750 1.00000 0.03190