Sitinakite
Thorogood G J, Kennedy B J, Griffith C S, Elcombe M E, Avdeev M,
Hanna J V, Thorogood S K, Luca V
Chemistry of Materials 22 (2010) 4222-4231
Structure and phase transformations in the titanosilicate, sitinakite.
The importance of water
Locality: synthetic
Note: T = 298 K with neutron
_database_code_amcsd 0012223
CELL PARAMETERS: 7.8099 7.8099 11.9560 90.000 90.000 90.000
SPACE GROUP: P4_2/mcm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 729.251
Density (g/cm3): 3.249
MAX. ABS. INTENSITY / VOLUME**2: 9.891672389
RIR: 0.991
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.33 33.44 7.8099 1 0 0 4
14.82 46.34 5.9780 0 0 2 2
16.05 20.54 5.5224 1 1 0 4
17.69 100.00 5.0135 1 1 1 8
18.69 11.64 4.7470 1 0 2 8
22.77 14.78 3.9049 2 0 0 4
25.50 33.61 3.4927 2 1 0 8
26.59 46.16 3.3526 2 1 1 16
27.28 30.28 3.2693 2 0 2 8
27.60 30.40 3.2317 1 1 3 8
29.62 3.22 3.0157 2 1 2 16
29.89 2.98 2.9890 0 0 4 2
32.42 54.69 2.7612 2 2 0 4
34.11 46.55 2.6287 1 1 4 8
34.13 20.01 2.6267 2 1 3 16
34.45 54.76 2.6033 3 0 0 4
35.82 1.11 2.5067 2 2 2 8
36.38 14.27 2.4697 3 1 0 8
37.69 11.51 2.3868 3 0 2 8
39.69 12.37 2.2709 2 1 4 16
39.71 5.03 2.2697 2 2 3 8
41.14 7.29 2.1943 1 1 5 8
41.70 1.63 2.1661 3 2 0 8
42.41 2.70 2.1314 3 2 1 16
43.09 8.69 2.0993 3 1 3 16
44.68 3.34 2.0282 2 2 4 8
45.52 31.68 1.9927 0 0 6 2
46.00 2.26 1.9731 2 1 5 16
46.25 16.31 1.9631 3 0 4 8
46.51 8.37 1.9525 4 0 0 4
47.07 6.51 1.9308 1 0 6 8
47.77 11.75 1.9039 3 1 4 16
47.79 1.15 1.9031 3 2 3 16
48.03 18.15 1.8942 4 1 0 8
48.57 4.91 1.8744 1 1 6 8
48.67 2.11 1.8708 4 1 1 16
49.09 11.60 1.8560 4 0 2 8
49.52 3.37 1.8408 3 3 0 4
50.55 1.09 1.8057 4 1 2 16
51.49 2.48 1.7749 2 0 6 8
52.39 4.33 1.7463 4 2 0 8
52.99 5.46 1.7280 4 2 1 16
53.57 3.71 1.7108 4 1 3 16
54.76 2.29 1.6763 4 2 2 16
56.28 12.04 1.6346 4 0 4 8
56.39 4.94 1.6317 1 1 7 8
57.61 3.90 1.6000 4 1 4 16
57.63 9.14 1.5995 4 2 3 16
58.31 9.71 1.5823 3 0 6 8
58.92 5.94 1.5674 3 3 4 8
59.15 6.20 1.5620 4 3 0 8
59.15 1.53 1.5620 5 0 0 4
60.32 5.05 1.5344 2 1 7 16
60.99 3.38 1.5192 5 1 1 16
64.11 1.10 1.4526 2 2 7 8
64.75 2.74 1.4397 5 2 1 16
65.26 11.13 1.4297 5 1 3 16
66.27 1.63 1.4103 4 2 5 16
67.12 13.41 1.3946 4 0 6 8
67.89 12.15 1.3806 4 4 0 4
68.32 4.43 1.3729 4 1 6 16
68.88 2.43 1.3631 5 1 4 16
68.90 1.33 1.3628 5 2 3 16
69.52 3.41 1.3522 3 3 6 8
69.93 1.44 1.3452 4 4 2 8
70.79 2.30 1.3311 5 3 1 16
71.82 1.76 1.3143 2 2 8 8
72.64 1.14 1.3016 6 0 0 4
74.78 1.60 1.2696 5 3 3 16
76.76 1.06 1.2417 2 1 9 16
77.67 6.06 1.2293 4 3 6 16
78.21 1.58 1.2223 5 3 4 16
78.30 1.38 1.2211 4 2 7 16
78.89 1.38 1.2134 5 4 1 16
81.02 3.71 1.1867 4 0 8 8
82.75 1.48 1.1663 5 4 3 16
82.93 1.11 1.1642 6 3 0 8
85.07 1.35 1.1403 5 1 7 16
85.58 3.85 1.1348 4 4 6 8
87.41 1.49 1.1157 7 0 0 4
88.43 1.62 1.1055 5 2 7 16
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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.