Perraultite Sokolova E, Day M C, Hawthorne F C, Agakhanov A A, Camara F, Uvarova Y A, Della Ventura G The Canadian Mineralogist 59 (2021) 1-15 From structure topology to chemical composition. XXIX. Revision of the crystal structure of perraultite, NaBaMn4Ti2(Si2O7)2O2(OH)2F, a seidozerite-supergroup TS-block mineral from the Oktyabr'skii massiff, Ukraine, and discreditation of surkhobite Locality: Oktyabr'skii massif, Donetsk region, Ukraine _database_code_amcsd 0020975 CELL PARAMETERS: 10.7410 13.8410 11.0790 108.174 99.186 89.990 SPACE GROUP: C-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1542.674 Density (g/cm3): 3.722 MAX. ABS. INTENSITY / VOLUME**2: 11.61069143 RIR: 1.016 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.52 42.34 10.3768 0 0 1 2 10.45 10.69 8.4645 -1 1 0 2 11.01 9.62 8.0376 1 1 0 2 11.56 8.52 7.6535 -1 -1 1 2 13.03 5.71 6.7939 1 -1 1 2 13.49 3.94 6.5661 0 2 0 2 13.49 3.90 6.5642 0 -2 1 2 13.95 4.31 6.3470 -1 1 1 2 15.97 2.62 5.5504 1 1 1 2 16.75 3.18 5.2942 2 0 0 2 17.09 9.63 5.1884 0 0 2 2 17.11 2.28 5.1821 -1 -1 2 2 17.48 6.46 5.0735 -2 0 1 2 18.13 5.37 4.8938 0 2 1 2 18.14 5.28 4.8914 0 -2 2 2 19.44 1.36 4.5669 1 -1 2 2 20.07 15.60 4.4246 2 0 1 2 20.69 1.33 4.2928 -1 1 2 2 20.99 1.93 4.2328 -2 -2 1 2 20.99 1.91 4.2322 -2 2 0 2 21.88 17.06 4.0623 -2 0 2 2 22.12 1.20 4.0188 2 2 0 2 22.13 1.14 4.0175 2 -2 1 2 23.24 5.24 3.8271 -2 2 1 2 23.24 5.08 3.8267 -2 -2 2 2 24.26 1.59 3.6695 1 -3 2 2 24.54 1.10 3.6279 -1 -1 3 2 25.01 8.68 3.5603 0 2 2 2 25.02 8.75 3.5588 0 -2 3 2 25.02 2.22 3.5586 -1 3 1 2 25.75 2.34 3.4602 0 -4 1 2 25.76 49.93 3.4589 0 0 3 2 25.79 5.12 3.4546 -3 1 0 2 25.80 4.76 3.4537 -3 -1 1 2 25.99 8.82 3.4288 2 0 2 2 26.22 22.58 3.3983 2 2 1 2 26.23 22.29 3.3970 2 -2 2 2 26.49 2.85 3.3642 3 1 0 2 26.52 2.31 3.3607 -3 1 1 2 26.69 2.33 3.3399 1 3 1 2 27.16 7.00 3.2830 0 4 0 2 27.17 6.98 3.2821 0 -4 2 2 27.65 1.66 3.2263 -1 -3 3 2 28.12 32.20 3.1735 -2 2 2 2 28.12 32.50 3.1729 -2 -2 3 2 28.35 3.94 3.1479 -2 0 3 2 29.61 1.73 3.0172 1 -3 3 2 30.67 1.40 2.9151 -1 3 2 2 30.87 3.62 2.8968 -2 -4 1 2 30.88 3.68 2.8961 2 -4 1 2 31.06 11.08 2.8794 0 4 1 2 31.07 10.96 2.8781 0 -4 3 2 31.29 50.18 2.8587 -2 -4 2 2 31.29 49.82 2.8587 -2 4 0 2 32.26 16.66 2.7752 2 2 2 2 32.27 16.68 2.7742 2 -2 3 2 32.85 3.26 2.7263 2 4 0 2 32.86 3.55 2.7257 0 2 3 2 32.87 3.33 2.7252 2 -4 2 2 32.87 3.64 2.7248 0 -2 4 2 33.44 1.21 2.6799 1 -5 1 2 33.50 1.84 2.6748 -4 0 1 2 33.82 1.06 2.6504 -1 -5 2 2 33.86 42.18 2.6471 4 0 0 2 34.03 31.77 2.6344 -2 4 1 2 34.03 1.10 2.6342 -1 -3 4 2 34.04 31.54 2.6339 -2 -4 3 2 34.58 32.24 2.5942 0 0 4 2 34.61 4.11 2.5916 -2 2 3 2 34.62 4.20 2.5910 -2 -2 4 2 35.14 1.05 2.5542 3 -3 2 2 35.18 1.06 2.5512 -3 -3 3 2 35.38 5.89 2.5367 -4 0 2 2 36.41 16.03 2.4676 4 0 1 2 36.73 3.81 2.4469 0 4 2 2 36.75 3.91 2.4457 0 -4 4 2 36.90 8.77 2.4362 2 4 1 2 36.91 8.89 2.4350 2 -4 3 2 38.66 13.46 2.3288 -2 4 2 2 38.67 13.23 2.3282 -2 -4 4 2 39.38 1.04 2.2878 -4 2 2 2 39.39 1.07 2.2877 -4 -2 3 2 40.47 1.43 2.2287 -1 -5 4 2 40.63 2.00 2.2207 4 2 1 2 40.64 1.92 2.2201 4 -2 2 2 40.79 28.11 2.2123 4 0 2 2 41.25 1.66 2.1887 0 6 0 2 41.26 1.71 2.1881 0 -6 3 2 41.28 5.91 2.1869 -3 -5 2 2 41.28 5.95 2.1868 3 -5 1 2 41.74 3.26 2.1638 -3 -5 1 2 41.77 3.84 2.1626 -3 5 0 2 42.21 1.08 2.1409 1 -5 4 2 42.50 8.02 2.1271 2 4 2 2 42.52 7.90 2.1261 2 -4 4 2 42.72 1.10 2.1168 -3 -5 3 2 42.72 5.31 2.1164 -4 -4 2 2 42.73 5.17 2.1161 -4 4 0 2 43.02 4.90 2.1027 -4 -4 1 2 43.03 4.96 2.1022 4 -4 1 2 43.15 1.51 2.0966 -1 5 2 2 43.59 1.15 2.0761 0 4 3 2 43.61 11.25 2.0754 0 0 5 2 43.62 1.19 2.0752 0 -4 5 2 43.84 1.04 2.0649 -4 2 3 2 43.85 1.02 2.0647 -4 -2 4 2 44.27 3.42 2.0459 -4 -4 3 2 44.27 3.39 2.0458 -4 4 1 2 44.61 18.65 2.0312 -4 0 4 2 44.69 4.13 2.0276 -2 4 3 2 44.71 4.18 2.0269 -2 -4 5 2 45.09 1.53 2.0108 1 5 2 2 45.12 2.08 2.0094 4 4 0 2 45.14 2.13 2.0087 4 -4 2 2 46.88 2.60 1.9378 -2 6 1 2 46.90 2.48 1.9374 -2 -6 4 2 48.30 1.08 1.8844 1 -5 5 2 49.67 2.61 1.8356 2 6 1 2 49.69 2.65 1.8347 2 -6 4 2 49.81 1.79 1.8305 2 0 5 2 51.02 1.15 1.7902 -6 0 1 2 51.32 1.60 1.7802 0 4 4 2 51.35 1.67 1.7794 0 -4 6 2 51.37 1.03 1.7788 -2 -6 5 2 51.77 16.95 1.7659 -2 4 4 2 51.79 17.19 1.7653 -2 -4 6 2 51.85 1.01 1.7635 -6 0 2 2 52.30 1.63 1.7493 -4 -6 2 2 52.31 1.65 1.7490 4 -6 1 2 52.86 2.50 1.7321 -2 0 6 2 52.92 24.19 1.7301 0 -8 2 2 52.94 6.95 1.7295 0 0 6 2 53.44 19.33 1.7144 4 0 4 2 53.71 1.96 1.7067 0 -8 1 2 53.71 1.89 1.7064 0 -8 3 2 54.03 3.02 1.6972 -5 -5 2 2 54.18 1.96 1.6929 -5 5 0 2 54.30 1.44 1.6895 5 -5 1 2 54.56 1.49 1.6821 6 2 0 2 54.56 1.51 1.6819 6 -2 1 2 54.62 1.58 1.6804 -6 -2 3 2 54.62 1.54 1.6803 -6 2 2 2 54.94 1.66 1.6711 -4 6 1 2 54.95 1.65 1.6710 -4 -6 4 2 55.91 2.77 1.6446 4 6 0 2 55.93 2.78 1.6440 4 -6 3 2 56.02 1.77 1.6415 0 8 0 2 56.04 1.77 1.6410 0 -8 4 2 56.89 8.60 1.6184 2 4 4 2 56.92 8.83 1.6177 2 -4 6 2 57.07 1.14 1.6137 -2 6 3 2 57.10 1.12 1.6132 -2 -6 6 2 57.59 1.85 1.6006 6 2 1 2 57.60 1.84 1.6003 6 -2 2 2 57.68 1.90 1.5981 -6 2 3 2 57.68 1.92 1.5981 -6 -2 4 2 58.00 17.25 1.5901 -6 -4 2 2 58.01 17.36 1.5899 -6 4 0 2 58.48 1.51 1.5781 -4 6 2 2 58.49 1.66 1.5779 -4 -6 5 2 58.66 7.67 1.5739 -4 0 6 2 58.72 1.69 1.5722 -6 -4 1 2 58.74 1.70 1.5719 6 -4 1 2 58.77 1.87 1.5713 -6 -4 3 2 58.77 1.91 1.5711 -6 4 1 2 58.90 1.87 1.5681 2 0 6 2 59.09 1.06 1.5634 -2 2 6 2 59.10 1.05 1.5631 -2 -2 7 2 59.75 1.22 1.5476 0 8 1 2 59.77 1.66 1.5473 0 4 5 2 59.78 1.30 1.5471 0 -8 5 2 59.79 1.61 1.5467 0 -4 7 2 59.83 1.27 1.5459 -3 5 4 2 60.85 2.64 1.5222 1 -9 2 2 60.97 1.83 1.5196 -1 -9 2 2 61.10 1.53 1.5168 -1 -9 3 2 61.20 1.03 1.5144 4 0 5 2 62.67 1.63 1.4824 0 0 7 2 63.36 1.39 1.4679 3 -5 6 2 63.45 1.53 1.4661 -3 -5 7 2 64.32 5.03 1.4484 -4 -8 2 2 64.33 5.14 1.4481 4 -8 2 2 64.44 1.30 1.4459 6 4 1 2 64.46 1.33 1.4455 6 -4 3 2 64.55 1.43 1.4437 -6 4 3 2 64.56 1.44 1.4436 -6 -4 5 2 64.75 3.58 1.4397 0 8 2 2 64.78 3.59 1.4391 0 -8 6 2 65.10 2.19 1.4328 -4 4 5 2 65.12 2.29 1.4325 -4 -4 7 2 65.21 2.73 1.4306 2 2 6 2 65.23 2.72 1.4304 2 -2 7 2 65.32 3.94 1.4285 2 4 5 2 65.35 3.96 1.4280 2 -4 7 2 65.93 2.28 1.4169 -4 -8 1 2 65.95 2.30 1.4164 4 -8 3 2 66.97 4.10 1.3973 -4 0 7 2 67.15 1.30 1.3939 3 5 4 2 67.26 1.06 1.3920 -3 5 5 2 67.50 2.66 1.3876 4 4 4 2 67.53 2.79 1.3871 4 -4 6 2 68.50 1.08 1.3697 -2 2 7 2 68.52 1.12 1.3695 -2 -2 8 2 68.88 2.27 1.3631 4 8 0 2 68.91 2.23 1.3626 4 -8 4 2 69.24 2.71 1.3570 6 4 2 2 69.25 1.09 1.3568 0 2 7 2 69.26 1.10 1.3566 0 -2 8 2 69.26 2.73 1.3566 6 -4 4 2 69.38 2.94 1.3545 -6 4 4 2 69.39 2.94 1.3544 -6 -4 6 2 70.15 1.50 1.3415 -8 0 1 2 70.40 6.43 1.3374 -8 0 2 2 71.64 1.66 1.3172 -4 8 2 2 71.66 1.63 1.3170 -4 -8 6 2 71.98 1.71 1.3119 -8 0 3 2 72.93 1.98 1.2971 0 0 8 2 73.02 1.76 1.2958 -4 4 6 2 73.03 1.80 1.2955 -4 -4 8 2 73.36 1.38 1.2906 -2 10 0 2 73.37 1.39 1.2904 -2 -10 5 2 73.66 1.34 1.2861 8 0 1 2 74.53 1.31 1.2732 2 4 6 2 74.56 1.28 1.2728 2 -4 8 2 76.10 1.67 1.2507 -4 0 8 2 76.70 1.07 1.2425 -6 0 7 2 78.53 3.60 1.2181 4 8 2 2 78.57 3.75 1.2175 4 -8 6 2 82.91 2.26 1.1644 -4 8 4 2 82.94 2.31 1.1641 -4 -8 8 2 84.35 4.47 1.1483 -8 0 6 2 88.29 1.12 1.1069 -2 4 8 2 88.36 3.59 1.1062 8 0 4 2 89.57 2.49 1.0944 4 0 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.