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
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.