Calzirtite
Rastsvetaeva R K, Pushcharovskii D Y, Spiridonov E M, Gekimyants V M
Crystallography Reports 40 (1995) 746-748
Crystal structure of ordered calzirtite Ca2Zr5Ti2O16
Locality: Zelenets mine of the South Ural massif's Kusa titanium-
magnetite deposit, Russia
_database_code_amcsd 0019484
CELL PARAMETERS: 15.1890 15.1890 10.1110 90.000 90.000 90.000
SPACE GROUP: I4_1/acd
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2332.666
Density (g/cm3): 5.056
MAX. ABS. INTENSITY / VOLUME**2: 106.9027330
RIR: 6.884
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.65 14.82 7.5945 2 0 0 4
19.41 2.87 4.5741 1 1 2 8
21.11 2.20 4.2083 2 0 2 8
22.87 1.90 3.8887 3 2 1 16
25.58 6.12 3.4821 3 1 2 16
25.74 5.25 3.4613 4 1 1 16
26.24 1.59 3.3964 4 2 0 8
30.60 100.00 2.9217 3 3 2 8
32.97 1.47 2.7168 5 2 1 16
35.46 11.79 2.5315 6 0 0 4
35.51 6.66 2.5278 0 0 4 2
37.45 1.12 2.4016 6 2 0 8
38.89 1.61 2.3156 5 3 2 16
39.95 1.04 2.2565 4 3 3 16
40.32 2.23 2.2369 3 1 4 16
41.76 4.00 2.1630 5 2 3 16
45.19 1.27 2.0064 6 1 3 16
46.72 1.14 1.9443 6 4 2 16
46.83 2.53 1.9398 5 4 3 16
49.20 1.99 1.8521 7 4 1 16
51.02 13.40 1.7900 6 6 0 4
51.06 29.71 1.7887 6 0 4 8
52.56 1.21 1.7411 6 2 4 16
55.89 1.26 1.6452 2 0 6 8
55.91 1.09 1.6445 7 4 3 16
56.60 1.20 1.6260 9 2 1 16
58.01 2.38 1.5900 8 5 1 16
60.67 15.72 1.5263 9 3 2 16
60.75 9.68 1.5247 3 3 6 8
63.70 4.16 1.4608 6 6 4 8
64.10 1.11 1.4528 8 5 3 16
64.13 1.30 1.4521 7 2 5 16
67.98 1.29 1.3791 10 1 3 16
69.86 1.38 1.3464 11 2 1 16
75.04 2.15 1.2658 12 0 0 4
75.17 1.59 1.2639 0 0 8 2
83.17 1.76 1.1614 9 9 2 8
83.24 4.60 1.1607 9 3 6 16
85.84 1.05 1.1321 12 6 0 8
85.87 1.20 1.1318 12 0 4 8
85.96 1.71 1.1308 6 0 8 8
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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.