Seidozerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130032 Christiansen C C, Johnsen O, Makovicky E The Canadian Mineralogist 41 (2003) 1203-1224 Crystal chemistry of the rosenbuschite group Sample: 1993.158 _database_code_amcsd 0005888 CELL PARAMETERS: 5.5809 7.1010 18.4560 90.000 102.650 90.000 SPACE GROUP: P2/c ATOM X Y Z OCCUPANCY ISO(B) Zr 0.19770 0.11864 0.07405 0.690 0.671 Ti 0.19770 0.11864 0.07405 0.190 0.671 Fe 0.19770 0.11864 0.07405 0.090 0.671 Mg 0.19770 0.11864 0.07405 0.020 0.671 Nb 0.19770 0.11864 0.07405 0.010 0.671 Mn 0.50000 0.35047 0.25000 0.425 0.955 Mg 0.50000 0.35047 0.25000 0.265 0.955 Fe 0.50000 0.35047 0.25000 0.140 0.955 Ca 0.50000 0.35047 0.25000 0.115 0.955 Na 0.50000 0.35047 0.25000 0.055 0.955 Na 0.50000 0.85020 0.25000 0.935 1.484 Ca 0.50000 0.85020 0.25000 0.065 1.484 Na 0.20200 0.61240 0.06966 0.960 1.279 Ca 0.20200 0.61240 0.06966 0.040 1.279 Na 0.00000 0.61050 0.25000 1.000 1.240 Ti 0.00000 0.11058 0.25000 0.980 0.734 Nb 0.00000 0.11058 0.25000 0.020 0.734 Si 0.72280 0.38351 0.10434 1.000 0.687 Si 0.71870 0.84173 0.10434 1.000 0.655 O 0.73370 0.61290 0.10876 1.000 1.358 O 0.92650 0.32110 0.05873 1.000 0.940 O 0.90220 0.91020 0.05111 1.000 0.892 O 0.44390 0.31880 0.06562 1.000 1.121 O 0.43530 0.90370 0.07700 1.000 1.098 O 0.78730 0.31090 0.19029 1.000 1.003 O 0.82010 0.91360 0.18927 1.000 1.026 O 0.23640 0.12670 0.18400 0.500 1.058 F 0.23640 0.12670 0.18400 0.500 1.058 F 0.30520 0.57670 0.19223 1.000 1.769 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 6 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 19.11677207 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.47 16.41 7.1010 0 1 0 13.40 23.32 6.6060 0 1 1 15.89 5.39 5.5757 0 1 2 16.28 3.30 5.4454 1 0 0 17.08 1.66 5.1900 -1 0 2 19.36 1.39 4.5842 0 1 3 19.72 1.55 4.5020 0 0 4 20.28 6.00 4.3780 -1 1 1 20.55 10.28 4.3211 1 1 0 21.20 4.22 4.1901 -1 1 2 21.97 15.61 4.0454 1 1 1 22.70 9.80 3.9164 -1 0 4 24.35 12.27 3.6558 1 1 2 25.98 15.17 3.4294 -1 1 4 27.77 7.44 3.2121 0 1 5 28.35 1.54 3.1477 1 0 4 29.40 5.55 3.0385 -1 1 5 29.77 52.18 3.0013 0 0 6 29.86 9.32 2.9925 -1 2 1 30.70 6.29 2.9119 -1 0 6 31.06 100.00 2.8796 1 2 1 31.08 2.39 2.8776 1 1 4 31.94 1.02 2.8016 -1 2 3 32.20 2.55 2.7803 -2 0 2 32.38 1.95 2.7645 0 1 6 32.82 1.93 2.7286 1 2 2 32.90 8.52 2.7227 2 0 0 33.25 1.99 2.6942 -1 1 6 34.56 29.51 2.5950 -2 0 4 35.10 1.90 2.5567 1 1 5 35.24 4.88 2.5466 1 2 3 35.50 1.26 2.5285 0 2 5 36.51 4.95 2.4611 2 0 2 36.82 23.12 2.4411 -1 2 5 37.24 4.65 2.4145 1 0 6 39.52 1.89 2.2803 -2 0 6 40.06 4.95 2.2510 0 0 8 41.21 12.30 2.1907 -2 2 1 41.63 1.54 2.1694 1 2 5 41.91 8.45 2.1558 -2 2 3 41.91 1.57 2.1558 -1 1 8 41.95 1.19 2.1536 -1 3 2 42.11 2.07 2.1458 0 1 8 42.37 2.39 2.1332 1 3 1 42.39 3.60 2.1322 2 0 4 43.02 1.90 2.1024 2 2 1 43.74 2.07 2.0696 1 3 2 45.02 1.77 2.0135 -2 2 5 46.37 1.75 1.9582 -2 0 8 47.12 1.36 1.9289 2 2 3 49.54 25.01 1.8399 1 2 7 49.72 6.14 1.8336 -1 0 10 50.27 1.34 1.8151 3 0 0 50.62 1.65 1.8032 -2 3 1 50.74 1.44 1.7993 -3 1 2 51.13 1.24 1.7863 2 3 0 51.22 2.06 1.7836 -2 3 3 51.47 1.06 1.7754 -1 1 10 51.48 16.18 1.7752 0 4 0 51.74 2.13 1.7667 0 4 1 51.94 1.96 1.7605 -1 2 9 52.00 1.20 1.7586 3 1 0 52.07 1.40 1.7565 -2 1 9 52.18 1.70 1.7530 2 3 1 52.50 1.12 1.7431 0 2 9 52.54 1.44 1.7419 0 3 7 52.87 1.00 1.7318 -3 1 5 53.08 4.81 1.7252 2 2 5 53.41 1.28 1.7154 3 1 1 53.73 1.44 1.7060 2 3 2 54.27 1.21 1.6903 1 3 6 54.60 6.33 1.6809 -2 0 10 55.76 2.53 1.6486 2 3 3 55.96 14.13 1.6431 -3 2 3 56.00 1.26 1.6422 -2 3 6 56.14 5.36 1.6384 -3 2 1 56.95 1.10 1.6169 -1 4 4 57.04 7.13 1.6146 -2 2 9 57.30 1.45 1.6080 1 0 10 57.80 1.63 1.5952 0 1 11 57.93 1.07 1.5920 1 3 7 58.52 1.36 1.5773 -2 3 7 58.66 3.84 1.5738 2 0 8 59.44 1.58 1.5551 -3 1 8 60.28 2.04 1.5354 -1 0 12 60.56 4.77 1.5288 2 2 7 60.60 8.69 1.5280 0 4 6 61.28 8.48 1.5126 -1 2 11 61.52 1.91 1.5073 -3 2 7 61.82 1.91 1.5007 0 0 12 62.34 4.08 1.4894 3 2 3 62.45 1.71 1.4871 2 4 0 62.47 2.17 1.4867 0 2 11 63.49 7.03 1.4652 -2 4 4 64.41 1.17 1.4466 -3 0 10 64.75 4.21 1.4398 2 4 2 64.78 1.16 1.4392 -2 3 9 65.23 2.00 1.4303 1 4 6 65.25 2.63 1.4299 -2 2 11 65.69 1.71 1.4214 3 0 6 66.96 2.34 1.3975 -3 2 9 67.27 3.08 1.3919 -4 0 2 67.36 2.85 1.3902 -4 0 4 68.38 1.39 1.3718 1 0 12 68.47 1.62 1.3703 2 0 10 68.98 1.89 1.3614 4 0 0 69.26 1.03 1.3566 -4 0 6 70.54 1.19 1.3351 -1 5 4 72.91 1.33 1.2975 -4 0 8 73.90 1.46 1.2824 3 0 8 73.94 1.02 1.2819 -3 2 11 74.38 2.73 1.2754 -1 4 10 77.58 1.92 1.2306 4 0 4 78.34 2.55 1.2206 -2 4 10 79.34 1.65 1.2077 2 2 11 79.86 1.11 1.2011 0 5 8 81.78 2.00 1.1777 2 4 8 83.88 1.41 1.1534 -1 0 16 83.99 1.07 1.1522 3 2 9 84.13 2.47 1.1507 1 6 1 84.55 1.27 1.1461 0 4 12 85.09 1.11 1.1402 -4 0 12 85.42 1.52 1.1366 -2 2 15 87.35 1.77 1.1163 -1 6 5 88.02 1.11 1.1096 3 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.