Georgbarsanovite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070101 Ekimenkova I A, Rastsvetaeva R K, Khomyakov A P Doklady Chemistry 370 (2000) 17-20 Crystal structure of the Fe,Cl-analogue of kentbrooksite Locality: Petrelius peak, Khibiny massif, Kola Peninsula, Russia CELL PARAMETERS: 14.2670 14.2670 29.9270 90.000 90.000 120.000 SPACE GROUP: R3m ATOM X Y Z OCCUPANCY ISO(B) Na 0.20900 0.10450 0.28550 1.000 3.500 Na 0.10570 0.21140 0.15620 0.530 1.700 Na 0.12600 0.25200 0.14600 0.100 2.800 Na 0.07700 0.15400 0.17380 0.370 2.300 Na 0.56960 0.13920 0.17300 0.570 1.800 Na 0.55480 0.10960 0.18150 0.430 1.900 Na 0.49700 0.78200 0.17000 0.110 7.000 Na 0.47680 0.73840 0.18630 0.780 4.100 Ca 0.40540 0.33150 0.33230 1.000 0.770 Zr 0.32700 0.16350 0.16670 1.000 0.750 Fe 0.01080 0.50540 -0.00020 0.230 1.900 Nb 0.33333 0.66667 0.29580 0.800 1.500 Si 0.33333 0.66667 0.29580 0.200 1.500 Fe 0.18190 0.36380 0.32890 0.620 1.600 Mn 0.18190 0.36380 0.32890 0.040 1.600 Zr 0.18190 0.36380 0.32890 0.090 1.600 Ti 0.18190 0.36380 0.32890 0.020 1.600 K 0.46660 0.23330 0.04670 0.083 1.700 Sr 0.46660 0.23330 0.04670 0.239 1.700 Ba 0.46660 0.23330 0.04670 0.011 1.700 Y 0.46660 0.23330 0.04670 0.044 1.700 Mn 0.46660 0.23330 0.04670 0.356 1.700 Ca 0.46660 0.23330 0.04670 0.111 1.700 Ce 0.46660 0.23330 0.04670 0.156 1.700 Si 0.60950 0.60420 0.09730 1.000 0.580 Si 0.14020 0.07010 0.08070 1.000 0.760 Si 0.26880 0.32600 0.23730 1.000 0.540 Si 0.21020 0.42040 0.07430 1.000 0.660 Si 0.52660 0.26330 0.25050 1.000 0.570 Si 0.45950 0.54050 0.25650 1.000 0.770 Si 0.33333 0.66667 0.08730 1.000 1.400 O 0.20840 0.60420 0.25130 1.000 2.100 O 0.39880 0.29750 0.12660 1.000 1.900 O 0.62720 0.03800 0.04550 1.000 1.000 O 0.04680 0.30120 0.28990 1.000 0.900 O 0.10670 0.38850 0.10670 1.000 2.000 O 0.57210 0.60990 0.22690 1.000 1.300 O 0.25390 0.22510 0.20780 1.000 1.400 O 0.44140 0.22070 0.29080 1.000 1.600 O 0.18070 0.36140 0.22030 1.000 1.000 O 0.17960 0.08980 0.13240 1.000 1.500 O 0.17780 0.35560 0.02900 1.000 1.100 O 0.60550 0.39480 0.25310 1.000 1.000 O 0.23280 0.11640 0.04480 1.000 1.500 O 0.48270 0.51720 0.30640 1.000 1.100 O 0.01180 0.50590 0.11600 1.000 1.000 O 0.06160 0.12320 0.07340 1.000 1.100 O 0.27430 0.54860 0.06620 1.000 3.200 O 0.47100 0.23550 0.20250 1.000 1.400 OH 0.33333 0.66667 0.14260 1.000 2.100 OH 0.60300 0.20600 -0.00140 1.000 3.000 OH 0.41300 0.58600 0.00200 0.230 9.000 Cl 0.61800 0.38300 0.09670 0.100 3.000 Cl 0.66667 0.33333 0.09910 0.800 2.400 Cl 0.00000 0.00000 0.24490 0.200 1.200 Wa 0.00000 0.00000 0.25510 0.800 1.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 27 MAX. ABS. INTENSITY / VOLUME**2: 7.474489306 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.74 100.00 11.4205 1 0 1 8.86 12.76 9.9757 0 0 3 9.28 24.76 9.5274 0 1 2 12.41 14.98 7.1335 1 1 0 13.84 39.12 6.3999 1 0 4 14.64 13.91 6.0502 0 2 1 15.27 1.16 5.8026 1 1 3 15.52 51.90 5.7103 2 0 2 17.78 5.50 4.9878 0 0 6 18.63 6.24 4.7637 0 2 4 19.24 3.10 4.6141 2 1 1 19.92 1.19 4.4579 1 2 2 20.66 32.72 4.2987 2 0 5 21.58 1.94 4.1185 3 0 0 21.74 27.60 4.0877 1 1 6 22.00 2.05 4.0403 1 0 7 22.44 22.35 3.9616 2 1 4 23.37 3.96 3.8068 0 3 3 23.37 10.03 3.8068 3 0 3 24.17 6.59 3.6819 1 2 5 24.87 13.52 3.5804 0 1 8 24.96 28.34 3.5668 2 2 0 25.33 24.28 3.5155 0 2 7 26.17 51.70 3.4046 1 3 1 26.54 2.20 3.3585 2 2 3 26.69 16.52 3.3403 3 1 2 27.88 52.68 3.1999 2 0 8 28.10 7.17 3.1758 0 3 6 28.10 22.23 3.1758 3 0 6 28.30 38.45 3.1534 2 1 7 28.65 1.77 3.1156 1 3 4 29.53 15.45 3.0251 0 4 2 29.64 18.48 3.0139 1 1 9 30.05 97.80 2.9739 3 1 5 30.62 9.16 2.9196 1 2 8 30.74 1.23 2.9086 1 0 10 30.82 22.37 2.9013 2 2 6 31.33 98.83 2.8551 4 0 4 31.71 2.46 2.8219 3 2 1 32.14 7.91 2.7850 2 3 2 32.62 4.69 2.7449 0 4 5 33.23 9.70 2.6962 4 1 0 33.27 13.24 2.6933 0 2 10 33.51 11.59 2.6739 1 3 7 33.73 1.45 2.6570 0 1 11 33.82 10.90 2.6507 3 2 4 34.46 2.66 2.6028 1 4 3 34.67 30.44 2.5872 0 3 9 34.67 3.98 2.5872 3 0 9 35.03 2.98 2.5618 2 3 5 35.53 10.65 2.5269 3 1 8 35.63 10.67 2.5197 2 1 10 35.87 2.93 2.5038 4 0 7 36.01 6.00 2.4939 0 0 12 36.48 9.77 2.4627 0 5 1 36.87 1.01 2.4381 5 0 2 36.96 2.49 2.4322 2 2 9 37.77 7.91 2.3819 0 4 8 37.84 7.43 2.3778 3 3 0 37.93 6.54 2.3719 1 4 6 37.93 3.42 2.3719 4 1 6 38.09 1.46 2.3625 3 2 7 38.29 1.23 2.3508 1 2 11 38.68 11.52 2.3279 2 4 1 38.94 3.57 2.3130 3 3 3 39.04 1.16 2.3071 4 2 2 39.45 2.38 2.2841 5 0 5 39.83 2.60 2.2631 1 0 13 39.90 4.05 2.2592 2 3 8 40.00 4.39 2.2541 1 3 10 40.47 1.60 2.2290 2 4 4 40.77 7.27 2.2131 5 1 1 41.12 9.00 2.1951 1 5 2 41.51 6.60 2.1753 4 2 5 42.04 14.39 2.1494 4 0 10 42.10 2.42 2.1464 3 3 6 42.24 2.39 2.1394 0 5 7 42.37 1.64 2.1333 0 3 12 42.37 1.54 2.1333 3 0 12 42.42 8.47 2.1308 3 1 11 42.49 9.23 2.1275 5 1 4 42.94 7.15 2.1064 0 1 14 43.20 2.09 2.0943 1 4 9 43.20 1.02 2.0943 4 1 9 43.49 3.55 2.0807 1 5 5 43.91 1.17 2.0619 5 0 8 43.97 1.27 2.0593 6 0 0 44.00 6.76 2.0580 3 2 10 44.20 7.22 2.0493 2 4 7 44.32 4.30 2.0439 2 2 12 44.37 1.56 2.0416 0 4 11 44.72 2.86 2.0266 4 3 1 44.95 3.44 2.0167 0 6 3 45.04 3.61 2.0128 3 4 2 45.46 2.17 1.9951 0 0 15 45.81 23.24 1.9808 4 2 8 45.87 2.56 1.9785 5 2 0 46.08 1.84 1.9696 5 1 7 46.32 2.66 1.9603 4 3 4 46.73 4.03 1.9437 1 2 14 46.81 1.28 1.9407 2 5 3 46.98 10.04 1.9342 3 3 9 47.31 1.05 1.9214 1 1 15 47.59 5.67 1.9109 1 3 13 47.78 3.79 1.9034 0 6 6 47.78 11.94 1.9034 6 0 6 48.40 2.29 1.8805 1 6 1 48.71 3.13 1.8694 6 1 2 49.27 2.54 1.8494 1 0 16 49.51 5.20 1.8409 2 4 10 49.57 7.55 1.8391 2 5 6 49.57 2.83 1.8391 5 2 6 49.69 5.38 1.8347 4 3 7 49.81 4.56 1.8308 1 4 12 49.81 3.01 1.8308 4 1 12 49.91 2.48 1.8272 1 6 4 50.80 3.92 1.7973 6 1 5 50.85 3.48 1.7955 0 3 15 51.02 2.90 1.7902 0 2 16 51.11 2.80 1.7870 3 2 13 51.17 1.88 1.7851 3 4 8 51.22 27.90 1.7834 4 4 0 51.25 4.72 1.7825 5 1 10 51.58 5.56 1.7719 4 2 11 51.89 3.02 1.7620 3 5 1 52.03 10.56 1.7578 0 4 14 52.18 1.54 1.7529 5 3 2 52.56 3.66 1.7412 2 2 15 53.23 3.03 1.7210 3 3 12 53.33 1.20 1.7179 3 5 4 53.33 4.17 1.7179 7 0 4 53.57 2.36 1.7106 6 2 1 53.71 3.45 1.7067 2 3 14 53.86 6.94 1.7023 2 6 2 54.18 1.16 1.6930 2 0 17 54.18 4.04 1.6930 0 7 5 54.53 1.22 1.6828 6 1 8 54.61 2.10 1.6807 4 3 10 54.66 12.15 1.6793 4 4 6 54.98 1.26 1.6702 6 2 4 55.25 1.22 1.6626 0 0 18 55.81 4.44 1.6472 2 6 5 56.01 2.90 1.6418 1 3 16 56.10 4.98 1.6393 2 4 13 56.54 1.76 1.6276 3 4 11 56.86 5.54 1.6192 1 1 18 56.96 1.33 1.6167 5 0 14 57.03 2.04 1.6149 1 7 3 57.61 13.59 1.6000 4 0 16 57.75 1.79 1.5963 0 7 8 57.83 8.30 1.5945 1 6 10 57.99 3.75 1.5904 6 2 7 58.09 1.68 1.5879 6 0 12 58.54 5.30 1.5767 4 2 14 58.69 1.76 1.5732 4 5 2 59.18 7.64 1.5612 3 2 16 59.37 3.23 1.5567 6 3 0 59.44 1.92 1.5550 1 7 6 59.65 3.27 1.5500 5 2 12 59.75 4.40 1.5477 5 4 4 60.00 1.15 1.5417 0 3 18 60.10 5.57 1.5395 1 5 14 60.24 4.11 1.5363 8 0 2 60.82 3.60 1.5231 4 3 13 61.28 1.63 1.5126 0 8 4 61.51 1.09 1.5076 2 7 1 61.54 1.03 1.5069 2 2 18 61.77 2.35 1.5019 7 2 2 62.25 2.12 1.4914 0 5 16 62.46 2.17 1.4870 6 2 10 62.50 1.23 1.4860 3 6 6 62.50 1.77 1.4860 6 3 6 62.53 1.27 1.4855 0 1 20 62.61 2.24 1.4837 5 4 7 62.75 6.86 1.4808 5 3 11 62.75 1.53 1.4808 0 7 11 62.80 1.99 1.4797 2 7 4 63.14 3.24 1.4725 3 4 14 63.34 1.14 1.4683 7 1 9 63.57 1.33 1.4636 7 2 5 63.75 4.74 1.4598 2 4 16 63.89 1.79 1.4570 4 5 8 64.20 2.31 1.4506 4 4 12 65.10 2.41 1.4329 6 0 15 65.19 1.91 1.4312 1 3 19 65.24 1.08 1.4302 5 1 16 65.37 3.67 1.4276 8 0 8 65.42 4.32 1.4267 5 5 0 65.50 2.17 1.4250 1 2 20 65.59 1.00 1.4234 2 7 7 65.99 3.27 1.4157 4 6 1 66.24 3.04 1.4110 6 4 2 66.52 4.98 1.4057 1 8 5 66.56 1.08 1.4048 5 2 15 66.56 2.58 1.4048 2 5 15 67.45 2.61 1.3886 7 3 1 68.15 1.52 1.3759 4 3 16 68.35 5.24 1.3725 0 8 10 68.39 10.13 1.3717 5 5 6 68.41 1.65 1.3713 3 1 20 68.49 1.51 1.3699 8 1 7 69.41 1.08 1.3541 3 7 5 69.76 4.74 1.3481 8 2 0 69.78 1.46 1.3477 2 7 10 69.84 3.06 1.3468 0 3 21 69.85 5.36 1.3467 0 4 20 69.93 4.20 1.3453 4 6 7 70.43 2.45 1.3369 2 6 14 70.49 2.97 1.3360 8 2 3 70.83 1.23 1.3303 3 4 17 70.94 1.46 1.3285 0 2 22 70.96 1.92 1.3282 0 5 19 71.14 1.80 1.3254 6 4 8 71.26 1.92 1.3234 2 2 21 71.35 1.18 1.3220 7 3 7 72.65 1.60 1.3014 2 8 6 73.16 3.31 1.2936 0 6 18 73.37 2.87 1.2904 9 1 2 74.70 3.32 1.2708 4 7 3 75.20 1.55 1.2634 6 2 16 76.38 2.26 1.2470 0 0 24 76.83 1.81 1.2407 1 5 20 77.00 1.95 1.2384 5 5 12 77.08 1.06 1.2372 3 8 4 77.40 1.16 1.2330 7 2 14 78.08 1.04 1.2239 5 6 8 78.66 1.86 1.2164 9 2 1 78.68 1.80 1.2161 4 4 18 78.89 2.61 1.2134 2 9 2 79.15 2.78 1.2100 0 10 5 80.63 1.59 1.1915 1 0 25 80.85 1.19 1.1889 6 6 0 80.87 1.69 1.1887 1 9 10 81.99 1.65 1.1752 0 2 25 82.16 1.30 1.1732 0 10 8 82.27 1.34 1.1718 0 6 21 83.32 1.01 1.1598 5 1 22 83.62 2.23 1.1563 2 5 21 84.91 1.83 1.1421 10 0 10 85.17 1.80 1.1392 8 3 11 85.42 1.86 1.1366 4 2 23 85.44 1.22 1.1363 6 3 18 85.44 1.95 1.1363 3 6 18 86.26 2.47 1.1277 9 2 10 87.29 3.16 1.1170 8 2 15 87.29 2.24 1.1170 2 8 15 88.83 1.33 1.1016 3 8 13 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.