data_global _chemical_name_mineral 'Gotzenite' 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: WBC-13 ; _database_code_amcsd 0005886 _chemical_compound_source 'Werner Bjerge, East Greenland' _chemical_formula_sum 'Ca4.91 Ce.25 Mn.11 Zr.09 Y.06 Na1.59 (Ti.92 Fe.05 Nb.03) Si4 O15 F3' _cell_length_a 9.6192 _cell_length_b 5.7249 _cell_length_c 7.3307 _cell_angle_alpha 89.921 _cell_angle_beta 101.132 _cell_angle_gamma 100.639 _cell_volume 389.044 _exptl_crystal_density_diffrn 3.188 _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 CaM1 0.63094 0.22638 0.90950 0.81000 0.01100 CeM1 0.63094 0.22638 0.90950 0.06500 0.01100 MnM1 0.63094 0.22638 0.90950 0.05500 0.01100 ZrM1 0.63094 0.22638 0.90950 0.04500 0.01100 YM1 0.63094 0.22638 0.90950 0.03000 0.01100 CaM2 0.99344 0.49660 0.24160 0.61000 0.01860 NaM2 0.99344 0.49660 0.24160 0.39000 0.01860 CaM3 0.63285 0.22740 0.40744 0.94000 0.01680 CeM3 0.63285 0.22740 0.40744 0.06000 0.01680 NaM4 0.00000 0.00000 0.50000 0.81000 0.01530 CaM4 0.00000 0.00000 0.50000 0.19000 0.01530 TiM5 0.00000 0.00000 0.00000 0.92000 0.02430 FeM5 0.00000 0.00000 0.00000 0.05000 0.02430 NbM5 0.00000 0.00000 0.00000 0.03000 0.02430 Si1 0.71688 0.75040 0.65190 1.00000 0.00910 Si2 0.72432 0.75510 0.21480 1.00000 0.00940 O1 0.75830 0.78600 0.44400 1.00000 0.02330 O2 0.61520 0.94020 0.66880 1.00000 0.01450 O3 0.61880 0.93630 0.14150 1.00000 0.01710 O4 0.64360 0.47730 0.66700 1.00000 0.02380 O5 0.66600 0.47900 0.16070 1.00000 0.02880 O6 0.87570 0.81290 0.78550 1.00000 0.01700 O7 0.88560 0.83550 0.17170 1.00000 0.01650 OX8 0.88520 0.25920 0.96750 0.50000 0.02160 FX8 0.88520 0.25920 0.96750 0.50000 0.02160 F9 0.88560 0.30620 0.47590 1.00000 0.01870