Christofschaferite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141090 Chukanov N V, Aksenov S M, Rastsvetaeva R K, Belakovskiy D I, Gottlicher J, Britvin S N, Mockel S New Data on Minerals. Moscow 47 (2012) 31-40 Christofschaferite-(Ce), (Ce,La,Ca)4Mn2+(Ti,Fe3+)3(Fe3+,Fe2+,Ti)(Si2O7)2O8, a new chevkinite-group mineral from the Eifel area, Germany Locality: near Eifel, Germany _database_code_amcsd 0020048 CELL PARAMETERS: 13.3570 5.7330 11.0850 90.000 100.580 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ce 0.39299 -0.25000 0.26638 0.425 0.468 La 0.39299 -0.25000 0.26638 0.370 0.468 Nd 0.39299 -0.25000 0.26638 0.042 0.468 Pr 0.39299 -0.25000 0.26638 0.010 0.468 Ca 0.39299 -0.25000 0.26638 0.142 0.468 Ce 0.81886 -0.25000 0.73890 0.425 0.354 La 0.81886 -0.25000 0.73890 0.370 0.354 Nd 0.81886 -0.25000 0.73890 0.042 0.354 Pr 0.81886 -0.25000 0.73890 0.010 0.354 Ca 0.81886 -0.25000 0.73890 0.142 0.354 Ce 0.10733 -0.25000 0.73407 0.425 1.524 La 0.10733 -0.25000 0.73407 0.370 1.524 Nd 0.10733 -0.25000 0.73407 0.042 1.524 Pr 0.10733 -0.25000 0.73407 0.010 1.524 Ca 0.10733 -0.25000 0.73407 0.142 1.524 Ce 0.68134 -0.25000 0.26116 0.425 2.874 La 0.68134 -0.25000 0.26116 0.370 2.874 Nd 0.68134 -0.25000 0.26116 0.042 2.874 Pr 0.68134 -0.25000 0.26116 0.010 2.874 Ca 0.68134 -0.25000 0.26116 0.142 2.874 Mn 0.24991 -0.25000 0.49998 0.760 0.592 Fe 0.24991 -0.25000 0.49998 0.260 0.592 Ti 0.00000 0.00000 0.00000 0.895 0.568 Fe 0.00000 0.00000 0.00000 0.070 0.568 Nb 0.00000 0.00000 0.00000 0.030 0.568 Mg 0.00000 0.00000 0.00000 0.005 0.568 Ti 0.50000 0.00000 0.00000 0.895 0.805 Fe 0.50000 0.00000 0.00000 0.070 0.805 Nb 0.50000 0.00000 0.00000 0.030 0.805 Mg 0.50000 0.00000 0.00000 0.005 0.805 Ti 0.24994 -0.25000 0.00033 0.895 0.742 Fe 0.24994 -0.25000 0.00033 0.070 0.742 Nb 0.24994 -0.25000 0.00033 0.030 0.742 Mg 0.24994 -0.25000 0.00033 0.005 0.742 Fe 0.74998 -0.25000 0.00015 0.480 0.805 Fe 0.74998 -0.25000 0.00015 0.250 0.805 Ti 0.74998 -0.25000 0.00015 0.250 0.805 Al 0.74998 -0.25000 0.00015 0.020 0.805 Si 0.05040 -0.25000 0.26720 1.000 0.363 Si 0.44940 -0.25000 0.73260 1.000 0.458 Si 0.89490 -0.25000 0.45370 1.000 0.434 Si 0.60500 -0.25000 0.54650 1.000 0.466 O 0.89680 -0.25000 0.97700 1.000 0.576 O 0.77250 -0.00350 0.12550 1.000 1.050 O 0.51290 -0.25000 0.62310 1.000 2.069 O 0.93680 -0.25000 0.59740 1.000 0.490 O 0.60520 -0.25000 0.02330 1.000 1.263 O 0.67570 -0.02500 0.59520 1.000 1.074 O 0.98480 -0.25000 0.37490 1.000 1.082 O 0.52110 0.01260 0.18520 1.000 1.492 O 0.40230 -0.25000 0.01000 1.000 0.521 O 0.02000 -0.01520 0.18500 1.000 0.940 O 0.72730 -0.00470 0.87410 1.000 0.821 O 0.56320 -0.25000 0.40230 1.000 1.200 O 0.33270 -0.25000 0.67780 1.000 0.363 O 0.09890 -0.25000 -0.00990 1.000 0.734 O 0.16890 -0.25000 0.32050 1.000 0.758 O 0.17390 0.02610 0.59600 1.000 2.242 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 5 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 18.16386395 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.11 11.99 10.8965 0 0 1 13.49 5.77 6.5650 2 0 0 14.42 1.20 6.1440 -2 0 1 16.27 32.77 5.4483 0 0 2 17.00 4.51 5.2158 2 0 1 18.20 46.84 4.8748 -1 1 1 19.16 1.74 4.6312 -2 0 2 19.29 49.72 4.6021 1 1 1 22.63 4.79 3.9289 -1 1 2 23.05 1.59 3.8588 2 0 2 24.38 1.18 3.6503 1 1 2 24.51 25.95 3.6322 0 0 3 25.61 18.09 3.4788 3 1 0 25.72 34.70 3.4637 -3 1 1 28.04 100.00 3.1822 3 1 1 28.35 85.77 3.1478 -3 1 2 28.84 24.53 3.0960 -1 1 3 29.07 37.49 3.0720 -4 0 2 29.83 37.76 2.9948 4 0 1 30.23 4.34 2.9565 2 0 3 30.94 21.21 2.8901 1 1 3 31.20 70.11 2.8665 0 2 0 32.29 12.38 2.7722 0 2 1 32.50 71.60 2.7553 3 1 2 32.88 66.92 2.7241 0 0 4 32.95 86.38 2.7183 -3 1 3 33.26 15.12 2.6938 -4 0 3 34.13 10.58 2.6270 2 2 0 34.39 11.27 2.6079 4 0 2 34.53 5.60 2.5977 -2 2 1 35.38 31.44 2.5368 0 2 2 35.74 9.77 2.5121 2 2 1 36.00 4.48 2.4944 -1 1 4 36.88 3.22 2.4374 -2 2 2 37.18 2.36 2.4180 -5 1 1 37.68 5.19 2.3874 5 1 0 38.02 1.12 2.3670 2 0 4 38.32 1.88 2.3489 1 1 4 38.35 7.65 2.3471 3 1 3 38.89 7.72 2.3156 -4 0 4 38.90 3.05 2.3151 -3 1 4 40.07 11.03 2.2502 0 2 3 40.27 13.94 2.2394 4 0 3 40.53 11.07 2.2258 -6 0 1 41.18 1.50 2.1922 -2 0 5 41.55 7.15 2.1733 -6 0 2 41.65 42.68 2.1685 -4 2 1 41.84 20.91 2.1591 4 2 0 43.16 12.56 2.0958 -4 2 2 43.66 10.10 2.0733 6 0 1 43.71 8.44 2.0708 4 2 1 43.79 2.21 2.0675 -1 1 5 44.00 2.92 2.0580 2 2 3 44.23 5.85 2.0480 -6 0 3 45.17 17.06 2.0073 3 1 4 45.79 22.16 1.9815 -3 1 5 45.96 52.32 1.9747 0 2 4 46.19 1.75 1.9655 -5 1 4 46.21 15.60 1.9645 -2 2 4 46.24 3.94 1.9633 2 0 5 46.25 2.96 1.9630 -4 2 3 46.26 11.26 1.9626 1 1 5 47.11 3.64 1.9290 4 2 2 48.65 3.45 1.8716 -1 3 1 49.11 6.30 1.8550 1 3 1 49.56 1.24 1.8393 -2 0 6 49.97 15.56 1.8252 2 2 4 50.24 1.37 1.8161 0 0 6 50.68 5.29 1.8013 -4 2 4 51.05 14.79 1.7891 -7 1 2 51.25 15.36 1.7827 7 1 0 51.81 5.98 1.7647 4 2 3 52.02 6.44 1.7581 -6 2 1 52.06 1.07 1.7568 -1 1 6 52.23 1.98 1.7513 3 3 0 52.29 4.62 1.7494 -3 3 1 52.55 2.60 1.7413 -2 2 5 52.62 7.67 1.7394 6 2 0 52.64 7.66 1.7386 6 0 3 52.72 2.79 1.7364 3 1 5 52.77 6.03 1.7349 0 2 5 52.87 15.92 1.7318 -6 2 2 52.95 14.51 1.7293 -4 0 6 53.13 1.29 1.7237 -7 1 3 53.39 2.69 1.7159 -3 1 6 53.61 13.54 1.7096 3 3 1 53.63 9.24 1.7090 -6 0 5 53.79 9.50 1.7042 -3 3 2 54.08 3.32 1.6958 -1 3 3 54.63 14.61 1.6799 6 2 1 54.66 8.44 1.6791 4 0 5 54.67 3.23 1.6788 1 1 6 55.03 10.63 1.6687 -8 0 1 55.11 8.89 1.6664 -6 2 3 55.23 7.74 1.6631 5 1 4 55.36 3.41 1.6595 1 3 3 55.42 4.96 1.6578 -8 0 2 56.24 2.06 1.6358 -4 2 5 56.35 14.87 1.6327 3 3 2 56.55 10.03 1.6275 -7 1 4 56.64 14.12 1.6249 -3 3 3 57.10 6.06 1.6132 7 1 2 57.19 1.47 1.6107 -8 0 3 57.59 1.77 1.6006 4 2 4 57.96 3.64 1.5911 6 2 2 58.66 1.62 1.5739 -6 2 4 59.37 7.25 1.5566 0 0 7 59.74 1.42 1.5480 -2 2 6 59.92 1.84 1.5437 -6 0 6 60.25 1.15 1.5360 -8 0 4 60.33 6.41 1.5341 0 2 6 60.81 3.38 1.5233 -1 1 7 60.89 7.44 1.5214 3 1 6 61.15 1.61 1.5155 -7 1 5 61.62 13.99 1.5051 -3 1 7 61.97 2.60 1.4974 8 0 2 62.75 4.13 1.4807 -4 2 6 62.87 1.54 1.4783 4 0 6 63.57 1.09 1.4635 1 1 7 64.30 2.81 1.4488 4 2 5 64.48 4.95 1.4450 2 2 6 64.50 2.61 1.4447 -8 0 5 65.08 21.51 1.4332 0 4 0 65.44 4.98 1.4263 3 3 4 65.80 1.11 1.4194 6 0 5 65.92 6.75 1.4169 -3 3 5 66.09 1.45 1.4138 9 1 0 66.29 2.43 1.4100 1 3 5 66.57 2.14 1.4047 -9 1 3 66.60 3.06 1.4042 -8 2 3 66.71 1.71 1.4022 8 0 3 66.81 2.37 1.4002 -7 1 6 67.58 1.36 1.3861 0 4 2 67.64 5.69 1.3851 7 1 4 67.69 4.32 1.3842 8 2 1 68.05 4.29 1.3777 6 2 4 68.41 1.33 1.3713 9 1 1 68.60 1.96 1.3680 0 2 7 68.94 5.97 1.3621 0 0 8 69.11 8.78 1.3592 -6 2 6 69.21 4.20 1.3575 -9 1 4 70.08 1.66 1.3427 -1 1 8 70.16 5.20 1.3413 -7 3 2 70.33 4.67 1.3386 7 3 0 70.65 1.70 1.3332 0 4 3 70.67 1.09 1.3330 -10 0 1 71.02 4.71 1.3272 8 2 2 71.82 1.95 1.3144 -10 0 3 71.91 1.11 1.3130 10 0 0 72.82 4.54 1.2988 -4 4 2 73.03 1.11 1.2956 1 1 8 73.21 4.46 1.2928 4 4 1 73.39 2.95 1.2901 -8 2 5 73.68 3.43 1.2857 5 3 4 74.34 1.61 1.2760 10 0 1 74.61 8.35 1.2720 6 2 5 74.82 4.34 1.2690 -7 3 4 74.86 10.27 1.2684 0 4 4 75.07 1.92 1.2653 -4 4 3 75.29 2.78 1.2622 7 3 2 75.72 1.82 1.2561 4 4 2 75.83 6.01 1.2545 -6 2 7 77.61 3.67 1.2302 0 2 8 78.55 1.21 1.2178 -1 3 7 78.63 3.28 1.2168 3 3 6 79.17 3.91 1.2098 3 1 8 79.26 5.30 1.2087 -10 2 1 79.28 6.67 1.2084 -3 3 7 79.38 1.82 1.2072 4 4 3 79.55 3.00 1.2050 -6 4 1 80.02 4.82 1.1991 -3 1 9 80.23 1.35 1.1965 -6 4 2 80.27 4.30 1.1960 4 2 7 80.99 1.59 1.1872 -11 1 2 81.02 4.24 1.1868 -7 1 8 81.19 3.10 1.1847 -11 1 1 81.67 2.04 1.1790 6 4 1 81.94 1.52 1.1757 -11 1 3 82.07 1.31 1.1743 -6 4 3 82.10 2.25 1.1739 7 1 6 83.78 1.14 1.1546 -9 3 3 84.05 1.18 1.1515 -11 1 4 84.58 1.16 1.1457 -8 2 7 84.77 2.78 1.1436 7 3 4 85.07 1.18 1.1404 11 1 1 86.09 3.74 1.1294 -10 2 5 86.23 2.25 1.1279 -9 3 4 86.28 4.09 1.1274 10 2 2 87.02 3.19 1.1197 8 0 6 87.06 1.01 1.1194 -1 3 8 87.30 1.54 1.1169 -11 1 5 87.45 1.83 1.1153 0 2 9 87.61 1.85 1.1138 8 2 5 87.69 1.34 1.1129 -12 0 2 88.08 1.97 1.1090 -10 0 7 88.35 1.51 1.1063 5 1 8 88.38 1.13 1.1060 10 0 4 88.39 2.58 1.1059 6 4 3 88.63 4.88 1.1035 -4 4 6 88.72 1.19 1.1027 11 1 2 89.16 2.50 1.0983 3 5 1 89.17 3.29 1.0982 -6 4 5 89.31 2.67 1.0969 -3 5 2 89.39 2.43 1.0961 -4 0 10 89.58 2.28 1.0943 -7 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.