data_global _chemical_name_mineral 'Christofschaferite-(Ce)' loop_ _publ_author_name 'Chukanov N V' 'Aksenov S M' 'Rastsvetaeva R K' 'Belakovskiy D I' 'Gottlicher J' 'Britvin S N' 'Mockel S' _journal_name_full 'New Data on Minerals. Moscow' _journal_volume 47 _journal_year 2012 _journal_page_first 31 _journal_page_last 40 _publ_section_title ; Christofschaferite-(Ce), (Ce,La,Ca)4Mn2+(Ti,Fe3+)3(Fe3+,Fe2+,Ti)(Si2O7)2O8, a new chevkinite-group mineral from the Eifel area, Germany ; _database_code_amcsd 0020048 _chemical_compound_source 'near Eifel, Germany' _chemical_formula_sum 'Ce1.7 La1.48 Nd.168 Pr.04 Ca.568 Mn.76 Fe1.2 Ti2.935 Nb.09 Mg.015 Al.02 Si4 O22' _cell_length_a 13.3722 _cell_length_b 5.7434 _cell_length_c 11.0862 _cell_angle_alpha 90 _cell_angle_beta 100.580 _cell_angle_gamma 90 _cell_volume 836.966 _exptl_crystal_density_diffrn 4.838 _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 CeA1 0.39299 -0.25000 0.26638 0.42500 0.00593 LaA1 0.39299 -0.25000 0.26638 0.37000 0.00593 NdA1 0.39299 -0.25000 0.26638 0.04200 0.00593 PrA1 0.39299 -0.25000 0.26638 0.01000 0.00593 CaA1 0.39299 -0.25000 0.26638 0.14200 0.00593 CeA2 0.81886 -0.25000 0.73890 0.42500 0.00448 LaA2 0.81886 -0.25000 0.73890 0.37000 0.00448 NdA2 0.81886 -0.25000 0.73890 0.04200 0.00448 PrA2 0.81886 -0.25000 0.73890 0.01000 0.00448 CaA2 0.81886 -0.25000 0.73890 0.14200 0.00448 CeA3 0.10733 -0.25000 0.73407 0.42500 0.01930 LaA3 0.10733 -0.25000 0.73407 0.37000 0.01930 NdA3 0.10733 -0.25000 0.73407 0.04200 0.01930 PrA3 0.10733 -0.25000 0.73407 0.01000 0.01930 CaA3 0.10733 -0.25000 0.73407 0.14200 0.01930 CeA4 0.68134 -0.25000 0.26116 0.42500 0.03640 LaA4 0.68134 -0.25000 0.26116 0.37000 0.03640 NdA4 0.68134 -0.25000 0.26116 0.04200 0.03640 PrA4 0.68134 -0.25000 0.26116 0.01000 0.03640 CaA4 0.68134 -0.25000 0.26116 0.14200 0.03640 Mn2+M1 0.24991 -0.25000 0.49998 0.76000 0.00750 Fe2+M1 0.24991 -0.25000 0.49998 0.26000 0.00750 TiM2 0.00000 0.00000 0.00000 0.89500 0.00720 Fe2+M2 0.00000 0.00000 0.00000 0.07000 0.00720 NbM2 0.00000 0.00000 0.00000 0.03000 0.00720 MgM2 0.00000 0.00000 0.00000 0.00500 0.00720 TiM2* 0.50000 0.00000 0.00000 0.89500 0.01020 Fe2+M2* 0.50000 0.00000 0.00000 0.07000 0.01020 NbM2* 0.50000 0.00000 0.00000 0.03000 0.01020 MgM2* 0.50000 0.00000 0.00000 0.00500 0.01020 TiM3 0.24994 -0.25000 0.00033 0.89500 0.00940 Fe2+M3 0.24994 -0.25000 0.00033 0.07000 0.00940 NbM3 0.24994 -0.25000 0.00033 0.03000 0.00940 MgM3 0.24994 -0.25000 0.00033 0.00500 0.00940 Fe3+M4 0.74998 -0.25000 0.00015 0.48000 0.01020 Fe2+M4 0.74998 -0.25000 0.00015 0.25000 0.01020 TiM4 0.74998 -0.25000 0.00015 0.25000 0.01020 AlM4 0.74998 -0.25000 0.00015 0.02000 0.01020 Si1 0.05040 -0.25000 0.26720 1.00000 0.00460 Si2 0.44940 -0.25000 0.73260 1.00000 0.00580 Si3 0.89490 -0.25000 0.45370 1.00000 0.00550 Si4 0.60500 -0.25000 0.54650 1.00000 0.00590 O1 0.89680 -0.25000 0.97700 1.00000 0.00730 O2 0.77250 -0.00350 0.12550 1.00000 0.01330 O3 0.51290 -0.25000 0.62310 1.00000 0.02620 O4 0.93680 -0.25000 0.59740 1.00000 0.00620 O5 0.60520 -0.25000 0.02330 1.00000 0.01600 O6 0.67570 -0.02500 0.59520 1.00000 0.01360 O7 0.98480 -0.25000 0.37490 1.00000 0.01370 O8 0.52110 0.01260 0.18520 1.00000 0.01890 O9 0.40230 -0.25000 0.01000 1.00000 0.00660 O10 0.02000 -0.01520 0.18500 1.00000 0.01190 O11 0.72730 -0.00470 0.87410 1.00000 0.01040 O12 0.56320 -0.25000 0.40230 1.00000 0.01520 O13 0.33270 -0.25000 0.67780 1.00000 0.00460 O14 0.09890 -0.25000 -0.00990 1.00000 0.00930 O15 0.16890 -0.25000 0.32050 1.00000 0.00960 O16 0.17390 0.02610 0.59600 1.00000 0.02840 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 CeA1 0.00750 0.00310 0.00720 0.00000 0.00130 0.00000 LaA1 0.00750 0.00310 0.00720 0.00000 0.00130 0.00000 NdA1 0.00750 0.00310 0.00720 0.00000 0.00130 0.00000 PrA1 0.00750 0.00310 0.00720 0.00000 0.00130 0.00000 CaA1 0.00750 0.00310 0.00720 0.00000 0.00130 0.00000 CeA2 0.00460 0.00390 0.00510 0.00000 0.00120 0.00000 LaA2 0.00460 0.00390 0.00510 0.00000 0.00120 0.00000 NdA2 0.00460 0.00390 0.00510 0.00000 0.00120 0.00000 PrA2 0.00460 0.00390 0.00510 0.00000 0.00120 0.00000 CaA2 0.00460 0.00390 0.00510 0.00000 0.00120 0.00000 CeA3 0.00960 0.04040 0.00790 0.00000 0.00140 0.00000 LaA3 0.00960 0.04040 0.00790 0.00000 0.00140 0.00000 NdA3 0.00960 0.04040 0.00790 0.00000 0.00140 0.00000 PrA3 0.00960 0.04040 0.00790 0.00000 0.00140 0.00000 CaA3 0.00960 0.04040 0.00790 0.00000 0.00140 0.00000 CeA4 0.00420 0.10080 0.00450 0.00000 0.00140 0.00000 LaA4 0.00420 0.10080 0.00450 0.00000 0.00140 0.00000 NdA4 0.00420 0.10080 0.00450 0.00000 0.00140 0.00000 PrA4 0.00420 0.10080 0.00450 0.00000 0.00140 0.00000 CaA4 0.00420 0.10080 0.00450 0.00000 0.00140 0.00000 Mn2+M1 0.00900 0.00810 0.00480 0.00000 0.00020 0.00000 Fe2+M1 0.00900 0.00810 0.00480 0.00000 0.00020 0.00000 TiM2 0.00580 0.01240 0.00320 -0.00660 0.00020 0.00050 Fe2+M2 0.00580 0.01240 0.00320 -0.00660 0.00020 0.00050 NbM2 0.00580 0.01240 0.00320 -0.00660 0.00020 0.00050 MgM2 0.00580 0.01240 0.00320 -0.00660 0.00020 0.00050 TiM2' 0.00680 0.01980 0.00370 -0.00950 0.00050 -0.00090 Fe2+M2' 0.00680 0.01980 0.00370 -0.00950 0.00050 -0.00090 NbM2' 0.00680 0.01980 0.00370 -0.00950 0.00050 -0.00090 MgM2' 0.00680 0.01980 0.00370 -0.00950 0.00050 -0.00090 TiM3 0.00770 0.01150 0.00820 0.00000 0.00010 0.00000 Fe2+M3 0.00770 0.01150 0.00820 0.00000 0.00010 0.00000 NbM3 0.00770 0.01150 0.00820 0.00000 0.00010 0.00000 MgM3 0.00770 0.01150 0.00820 0.00000 0.00010 0.00000 Fe3+M4 0.00860 0.01600 0.00620 0.00000 0.00200 0.00000 Fe2+M4 0.00860 0.01600 0.00620 0.00000 0.00200 0.00000 TiM4 0.00860 0.01600 0.00620 0.00000 0.00200 0.00000 AlM4 0.00860 0.01600 0.00620 0.00000 0.00200 0.00000 Si1 0.00330 0.00620 0.00380 0.00000 -0.00010 0.00000 Si2 0.00520 0.00770 0.00420 0.00000 -0.00020 0.00000 Si3 0.00660 0.00700 0.00310 0.00000 0.00130 0.00000 Si4 0.00720 0.00700 0.00330 0.00000 0.00060 0.00000 O1 0.00600 0.00900 0.00800 0.00000 0.00400 0.00000 O2 0.00800 0.02400 0.00900 0.00100 0.00100 -0.00400 O3 0.03100 0.03400 0.02000 0.00000 0.02200 0.00000 O4 0.00600 0.00800 0.00300 0.00000 -0.00100 0.00000 O5 0.00500 0.03400 0.00900 0.00000 0.00200 0.00000 O6 0.02500 0.00800 0.00700 0.00800 0.00100 -0.00200 O7 0.01700 0.01300 0.01600 0.00000 0.01500 0.00000 O8 0.02100 0.03000 0.00500 -0.02200 0.00100 -0.00100 O9 0.00400 0.00300 0.01200 0.00000 -0.00100 0.00000 O10 0.01700 0.01300 0.00500 -0.01100 0.00200 0.00100 O11 0.00700 0.01700 0.00700 0.00400 0.00100 0.00200 O12 0.01300 0.02500 0.00700 0.00000 0.00100 0.00000 O13 0.00300 0.00300 0.00700 0.00000 -0.00300 0.00000 O14 0.00700 0.00700 0.01400 0.00000 0.00200 0.00000 O15 0.01200 0.00900 0.00600 0.00000 -0.00300 0.00000 O16 0.02900 0.04500 0.01000 0.02800 -0.00100 0.00300