data_global _chemical_name_mineral 'Dollaseite-(Ce)' loop_ _publ_author_name 'Peacor D R' 'Dunn P J' _journal_name_full 'American Mineralogist' _journal_volume 73 _journal_year 1988 _journal_page_first 838 _journal_page_last 842 _publ_section_title ; Dollaseite-(Ce) (Magnesium orthite redefined): Structure refinement and implications for F + M2+ substitutions in epidote-group minerals Note: Mg3-x coordinate has been corrected ; _database_code_amcsd 0001187 _chemical_formula_sum '(Ca.963 Ce1.037) Si3 Mg1.867 Fe.148 Al.985 O12.13 F.87 H' _cell_length_a 8.934 _cell_length_b 5.721 _cell_length_c 10.176 _cell_angle_alpha 90 _cell_angle_beta 114.3 _cell_angle_gamma 90 _cell_volume 474.030 _exptl_crystal_density_diffrn 3.923 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+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 Ca1 0.76270 0.75000 0.14800 0.94300 ? Ce1 0.76270 0.75000 0.14800 0.05700 ? Ca2 0.59320 0.75000 0.42610 0.02000 ? Ce2 0.59320 0.75000 0.42610 0.98000 ? Si1 0.34390 0.75000 0.04270 1.00000 ? Si2 0.69120 0.25000 0.27840 1.00000 ? Si3 0.18770 0.75000 0.32200 1.00000 ? Mg1 0.00000 0.00000 0.00000 0.99500 ? Fe1 0.00000 0.00000 0.00000 0.00500 ? Al2 0.00000 0.00000 0.50000 0.98500 ? Fe2 0.00000 0.00000 0.50000 0.01500 ? Mg3 0.31150 0.25000 0.21270 0.87200 ? Fe3 0.31150 0.25000 0.21270 0.12800 ? O1 0.24500 0.99170 0.03690 1.00000 ? O2 0.31200 0.97430 0.36150 1.00000 ? O3 0.80200 0.01530 0.33360 1.00000 ? F4 0.06070 0.25000 0.14570 0.87000 ? O4 0.06070 0.25000 0.14570 0.13000 ? O5 0.04550 0.75000 0.15640 1.00000 ? O6 0.07680 0.75000 0.41720 1.00000 ? O7 0.51740 0.75000 0.18060 1.00000 ? O8 0.54740 0.25000 0.33240 1.00000 ? O9 0.61540 0.25000 0.10080 1.00000 ? O10 0.09170 0.25000 0.43420 1.00000 ? H 0.06800 0.25000 0.33300 1.00000 0.02000 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 Ca1 0.01420 0.01000 0.01100 0.00000 0.00860 0.00000 Ce1 0.01420 0.01000 0.01100 0.00000 0.00860 0.00000 Ca2 0.00720 0.01340 0.00730 0.00000 0.00180 0.00000 Ce2 0.00720 0.01340 0.00730 0.00000 0.00180 0.00000 Si1 0.00580 0.00830 0.00690 0.00000 0.00190 0.00000 Si2 0.00690 0.00870 0.00790 0.00000 0.00360 0.00000 Si3 0.00640 0.00720 0.00670 0.00000 0.00340 0.00000 Mg1 0.00440 0.00490 0.00630 -0.00050 0.00240 -0.00040 Fe1 0.00440 0.00490 0.00630 -0.00050 0.00240 -0.00040 Al2 0.00570 0.00770 0.00690 0.00050 0.00220 0.00010 Fe2 0.00570 0.00770 0.00690 0.00050 0.00220 0.00010 Mg3 0.00450 0.00740 0.00570 0.00000 -0.00090 0.00000 Fe3 0.00450 0.00740 0.00570 0.00000 -0.00090 0.00000 O1 0.00820 0.00840 0.00870 0.00110 0.00220 0.00100 O2 0.01040 0.01040 0.00780 -0.00160 0.00280 -0.00120 O3 0.01090 0.00790 0.01080 0.00080 0.00040 -0.00080 F4 0.00840 0.01110 0.00740 0.00000 0.00230 0.00000 O4 0.00840 0.01110 0.00740 0.00000 0.00230 0.00000 O5 0.00610 0.01220 0.00440 0.00000 0.00040 0.00000 O6 0.01060 0.00990 0.01410 0.00000 0.00800 0.00000 O7 0.00530 0.01520 0.00880 0.00000 -0.00060 0.00000 O8 0.00500 0.03060 0.01470 0.00000 0.00380 0.00000 O9 0.00980 0.02670 0.00500 0.00000 0.00250 0.00000 O10 0.00690 0.01230 0.00850 0.00000 0.00400 0.00000