data_global _chemical_name_mineral 'Biraite-(Ce)' loop_ _publ_author_name 'Konev A' 'Pasero M' 'Pushcharovsky D' 'Merlino S' 'Kashaev A' 'Suvorova L' 'Ushchapovskaya Z' 'Nartova N' 'Lebedeva Y' 'Chukanov N' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 715 _journal_page_last 721 _publ_section_title ; Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia with a novel structure type ; _database_code_amcsd 0007129 _chemical_compound_source 'Biraia deposit, Irkutsk district, Siberia, Russia' _chemical_formula_sum 'Ce La.56 Nd.24 Pr.08 Sm.02 Ca.06 Na.02 (Fe.67 Mn.11 Ti.01 Mg.21) C Si2 (O9.8 F.2)' _cell_length_a 6.505 _cell_length_b 6.744 _cell_length_c 18.561 _cell_angle_alpha 90 _cell_angle_beta 108.75 _cell_angle_gamma 90 _cell_volume 771.053 _exptl_crystal_density_diffrn 4.716 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Ce1 0.32745 0.28119 0.23623 0.50000 0.01034 La1 0.32745 0.28119 0.23623 0.28000 0.01034 Nd1 0.32745 0.28119 0.23623 0.12000 0.01034 Pr1 0.32745 0.28119 0.23623 0.04000 0.01034 Sm1 0.32745 0.28119 0.23623 0.01000 0.01034 Ca1 0.32745 0.28119 0.23623 0.03000 0.01034 Na1 0.32745 0.28119 0.23623 0.01000 0.01034 Ce2 0.88569 0.86796 0.07651 0.50000 0.01232 La2 0.88569 0.86796 0.07651 0.28000 0.01232 Nd2 0.88569 0.86796 0.07651 0.12000 0.01232 Pr2 0.88569 0.86796 0.07651 0.04000 0.01232 Sm2 0.88569 0.86796 0.07651 0.01000 0.01232 Ca2 0.88569 0.86796 0.07651 0.03000 0.01232 Na2 0.88569 0.86796 0.07651 0.01000 0.01232 FeM1 0.43356 0.50550 0.07776 0.67000 0.01930 MnM1 0.43356 0.50550 0.07776 0.11000 0.01930 TiM1 0.43356 0.50550 0.07776 0.01000 0.01930 MgM1 0.43356 0.50550 0.07776 0.21000 0.01930 C 0.40410 0.98580 0.09960 1.00000 0.01280 Si1 0.92370 0.35730 0.07260 1.00000 0.01010 Si2 0.80560 0.28690 0.21860 1.00000 0.00880 O1 0.42210 0.12860 0.05660 0.98000 0.02010 F1 0.42210 0.12860 0.05660 0.02000 0.02010 O2 0.26830 -0.00920 0.13720 0.98000 0.01510 F2 0.26830 -0.00920 0.13720 0.02000 0.01510 O3 0.53240 0.83060 0.10910 0.98000 0.01750 F3 0.53240 0.83060 0.10910 0.02000 0.01750 O4 0.91310 0.18700 0.01120 0.98000 0.01380 F4 0.91310 0.18700 0.01120 0.02000 0.01380 O5 0.15380 0.46990 0.10640 0.98000 0.01950 F5 0.15380 0.46990 0.10640 0.02000 0.01950 O6 0.72660 0.51630 0.04250 0.98000 0.01550 F6 0.72660 0.51630 0.04250 0.02000 0.01550 O7 0.89600 0.22750 0.14640 0.98000 0.01220 F7 0.89600 0.22750 0.14640 0.02000 0.01220 O8 0.65910 0.11640 0.23650 0.98000 0.01190 F8 0.65910 0.11640 0.23650 0.02000 0.01190 O9 0.02660 0.32660 0.28740 0.98000 0.01350 F9 0.02660 0.32660 0.28740 0.02000 0.01350 O10 0.63690 0.47080 0.19140 0.98000 0.01320 F10 0.63690 0.47080 0.19140 0.02000 0.01320 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 Ce1 0.01036 0.00896 0.01289 0.00082 0.00541 0.00017 La1 0.01036 0.00896 0.01289 0.00082 0.00541 0.00017 Nd1 0.01036 0.00896 0.01289 0.00082 0.00541 0.00017 Pr1 0.01036 0.00896 0.01289 0.00082 0.00541 0.00017 Sm1 0.01036 0.00896 0.01289 0.00082 0.00541 0.00017 Ca1 0.01036 0.00896 0.01289 0.00082 0.00541 0.00017 Na1 0.01036 0.00896 0.01289 0.00082 0.00541 0.00017 Ce2 0.01310 0.01454 0.00968 -0.00386 0.00415 -0.00113 La2 0.01310 0.01454 0.00968 -0.00386 0.00415 -0.00113 Nd2 0.01310 0.01454 0.00968 -0.00386 0.00415 -0.00113 Pr2 0.01310 0.01454 0.00968 -0.00386 0.00415 -0.00113 Sm2 0.01310 0.01454 0.00968 -0.00386 0.00415 -0.00113 Ca2 0.01310 0.01454 0.00968 -0.00386 0.00415 -0.00113 Na2 0.01310 0.01454 0.00968 -0.00386 0.00415 -0.00113 FeM1 0.01360 0.03270 0.01170 -0.00470 0.00410 -0.00100 MnM1 0.01360 0.03270 0.01170 -0.00470 0.00410 -0.00100 TiM1 0.01360 0.03270 0.01170 -0.00470 0.00410 -0.00100 MgM1 0.01360 0.03270 0.01170 -0.00470 0.00410 -0.00100 C 0.01000 0.01400 0.01500 0.00240 0.00410 0.00120 Si1 0.01130 0.00950 0.00930 0.00040 0.00340 0.00010 Si2 0.00750 0.00940 0.00960 -0.00050 0.00310 0.00010 O1 0.02000 0.02500 0.01500 -0.00230 0.00520 0.00410 F1 0.02000 0.02500 0.01500 -0.00230 0.00520 0.00410 O2 0.01060 0.02100 0.01440 -0.00160 0.00550 -0.00220 F2 0.01060 0.02100 0.01440 -0.00160 0.00550 -0.00220 O3 0.01500 0.01900 0.01700 0.00460 0.00410 -0.00030 F3 0.01500 0.01900 0.01700 0.00460 0.00410 -0.00030 O4 0.01700 0.01510 0.00970 -0.00070 0.00480 -0.00170 F4 0.01700 0.01510 0.00970 -0.00070 0.00480 -0.00170 O5 0.01900 0.02300 0.01500 -0.00890 0.00440 -0.00270 F5 0.01900 0.02300 0.01500 -0.00890 0.00440 -0.00270 O6 0.01600 0.01500 0.01600 0.00500 0.00560 0.00300 F6 0.01600 0.01500 0.01600 0.00500 0.00560 0.00300 O7 0.01700 0.01230 0.01030 0.00290 0.00830 0.00170 F7 0.01700 0.01230 0.01030 0.00290 0.00830 0.00170 O8 0.01020 0.01010 0.01640 -0.00080 0.00570 0.00150 F8 0.01020 0.01010 0.01640 -0.00080 0.00570 0.00150 O9 0.00970 0.02000 0.01080 -0.00180 0.00360 -0.00370 F9 0.00970 0.02000 0.01080 -0.00180 0.00360 -0.00370 O10 0.01600 0.01070 0.01370 0.00380 0.00540 0.00120 F10 0.01600 0.01070 0.01370 0.00380 0.00540 0.00120