Parakeldyshite
Voronkov A A, Shumyatskaya N G, Pyatenko Y A
Journal of Structural Chemistry 11 (1970) 866-867
Crystal structure of a new natural modification of Na2Zr[Si2O7]
Locality: synthetic
_database_code_amcsd 0014056
CELL PARAMETERS: 6.6600 8.8300 5.4200 92.750 94.250 72.330
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 302.756
Density (g/cm3): 3.349
MAX. ABS. INTENSITY / VOLUME**2: 12.50378415
RIR: 1.216
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.52 8.87 8.4104 0 1 0 2
14.76 47.81 6.0019 1 1 0 2
16.41 2.42 5.4032 0 0 1 2
19.29 14.22 4.6024 0 -1 1 2
19.77 8.15 4.4914 0 1 1 2
19.93 6.99 4.4554 -1 1 0 2
20.93 49.41 4.2437 -1 0 1 2
21.13 66.32 4.2052 0 2 0 2
21.25 4.54 4.1821 -1 -1 1 2
21.56 28.54 4.1217 1 2 0 2
22.29 100.00 3.9891 1 0 1 2
25.53 16.88 3.4889 -1 1 1 2
26.30 1.42 3.3883 -1 -2 1 2
26.93 10.00 3.3105 2 1 0 2
28.10 16.00 3.1760 1 2 1 2
28.18 11.58 3.1667 2 0 0 2
28.80 7.28 3.0995 -1 2 0 2
30.58 47.48 2.9235 -2 -1 1 2
30.75 53.64 2.9081 1 3 0 2
31.85 27.43 2.8098 -2 0 1 2
32.78 16.99 2.7319 2 1 1 2
32.99 10.90 2.7154 -2 -2 1 2
33.09 1.51 2.7069 -2 1 0 2
33.16 59.96 2.7016 0 0 2 2
33.17 35.91 2.7012 -1 2 1 2
33.49 35.16 2.6760 1 -2 1 2
34.18 3.33 2.6234 -1 -3 1 2
34.60 1.93 2.5925 0 -1 2 2
35.68 6.09 2.5162 0 -3 1 2
35.89 11.14 2.5024 1 3 1 2
36.45 6.14 2.4649 -2 1 1 2
36.50 10.33 2.4616 0 3 1 2
36.98 4.46 2.4307 1 0 2 2
37.57 1.33 2.3942 1 1 2 2
38.46 3.19 2.3407 -2 -3 1 2
39.52 10.45 2.2801 1 -1 2 2
40.78 7.18 2.2128 2 3 1 2
40.82 6.96 2.2108 3 1 0 2
40.95 20.92 2.2038 1 4 0 2
41.51 9.37 2.1756 -2 -1 2 2
42.42 1.26 2.1309 -1 3 1 2
42.61 4.67 2.1219 -2 0 2 2
42.84 7.52 2.1111 3 0 0 2
43.02 3.90 2.1026 0 4 0 2
43.07 3.58 2.1003 -3 -1 1 2
43.94 1.69 2.0608 2 4 0 2
44.23 3.07 2.0476 -1 2 2 2
44.46 7.19 2.0376 -1 -3 2 2
44.74 5.09 2.0257 1 -2 2 2
44.89 4.36 2.0193 2 1 2 2
45.12 1.03 2.0094 -3 0 1 2
45.20 3.32 2.0059 1 4 1 2
45.47 24.61 1.9946 2 0 2 2
45.89 8.88 1.9775 0 -4 1 2
46.08 4.09 1.9700 -2 -4 1 2
46.41 4.73 1.9566 -2 1 2 2
46.78 2.66 1.9419 0 4 1 2
46.99 2.62 1.9338 2 2 2 2
47.19 19.08 1.9260 -3 -3 1 2
47.19 1.59 1.9259 3 0 1 2
47.20 7.66 1.9257 1 3 2 2
47.35 1.65 1.9198 0 3 2 2
47.45 15.79 1.9159 -3 1 0 2
48.31 1.69 1.8839 2 4 1 2
49.68 1.18 1.8353 -3 1 1 2
49.83 2.45 1.8300 3 3 1 2
51.26 6.45 1.7821 3 4 0 2
51.40 1.97 1.7776 3 -1 1 2
51.61 1.93 1.7709 0 -1 3 2
51.84 3.32 1.7636 -1 -1 3 2
51.87 7.55 1.7627 1 5 0 2
51.96 2.09 1.7599 -1 3 2 2
52.00 6.15 1.7586 1 -3 2 2
52.01 1.60 1.7584 -3 -2 2 2
52.17 3.06 1.7533 -2 3 1 2
52.24 4.57 1.7510 -1 -4 2 2
52.45 1.38 1.7445 -2 2 2 2
52.53 1.89 1.7420 1 -4 1 2
52.72 4.63 1.7364 -1 4 1 2
52.82 1.23 1.7334 2 -3 1 2
53.38 13.12 1.7164 -3 0 2 2
53.43 4.63 1.7148 2 5 0 2
53.78 8.95 1.7045 1 0 3 2
54.14 2.93 1.6941 2 -2 2 2
54.37 2.35 1.6873 -1 1 3 2
54.56 5.12 1.6821 0 5 0 2
55.59 3.76 1.6532 3 1 2 2
55.75 3.56 1.6489 4 1 0 2
56.26 4.32 1.6351 -2 -1 3 2
56.29 1.57 1.6343 -3 2 1 2
56.89 5.43 1.6184 0 -5 1 2
56.93 1.70 1.6174 -4 -2 1 2
57.17 4.02 1.6112 1 2 3 2
57.24 5.18 1.6094 -2 0 3 2
57.26 1.05 1.6090 -4 -1 1 2
57.55 5.51 1.6015 -3 1 2 2
57.58 3.81 1.6007 -2 -2 3 2
57.59 4.93 1.6004 4 3 0 2
57.69 3.01 1.5979 3 -2 1 2
57.85 6.79 1.5940 0 5 1 2
58.09 2.18 1.5880 2 4 2 2
58.76 2.81 1.5715 -1 -3 3 2
59.04 5.29 1.5646 -1 2 3 2
59.62 2.25 1.5507 3 3 2 2
59.65 4.32 1.5500 4 2 1 2
59.65 4.76 1.5499 1 -2 3 2
59.66 5.79 1.5497 -2 4 0 2
59.78 3.83 1.5470 4 1 1 2
59.83 2.80 1.5458 -4 0 1 2
59.99 3.79 1.5421 -3 -4 2 2
60.28 2.63 1.5352 -2 3 2 2
60.33 1.42 1.5341 0 -3 3 2
60.34 3.90 1.5339 2 1 3 2
60.39 6.89 1.5329 -3 -5 1 2
60.66 4.00 1.5267 3 -1 2 2
60.83 1.78 1.5228 1 -4 2 2
61.11 1.71 1.5164 -1 5 0 2
61.83 1.63 1.5005 4 4 0 2
62.11 4.79 1.4944 4 0 1 2
62.33 3.18 1.4896 -2 -5 2 2
63.51 1.08 1.4648 1 6 0 2
63.70 2.03 1.4609 -3 2 2 2
64.05 3.40 1.4537 -4 -1 2 2
64.41 3.60 1.4465 1 5 2 2
64.46 5.29 1.4454 0 -5 2 2
64.81 3.51 1.4385 3 4 2 2
65.40 3.49 1.4269 -4 -3 2 2
66.06 6.34 1.4143 2 3 3 2
66.33 1.26 1.4093 2 5 2 2
66.51 2.81 1.4059 4 -1 1 2
66.63 2.24 1.4035 -2 -4 3 2
66.92 1.21 1.3983 -3 -5 2 2
67.15 2.81 1.3940 -3 -3 3 2
67.57 2.43 1.3863 0 -4 3 2
67.67 1.58 1.3846 2 6 1 2
68.00 3.25 1.3786 4 5 0 2
69.01 1.07 1.3610 -4 -5 1 2
69.45 1.10 1.3533 -3 -6 1 2
69.60 3.56 1.3508 0 0 4 2
69.61 6.05 1.3506 -2 4 2 2
70.35 3.37 1.3383 -1 0 4 2
70.36 2.86 1.3380 2 -4 2 2
70.74 1.39 1.3318 4 3 2 2
71.00 2.66 1.3275 1 -5 2 2
71.03 1.02 1.3270 -4 2 1 2
71.65 2.35 1.3172 -1 5 2 2
72.05 2.47 1.3107 3 6 1 2
72.11 2.92 1.3098 -1 -2 4 2
72.86 1.19 1.2982 -5 -3 1 2
73.47 1.54 1.2890 2 -5 1 2
73.71 1.50 1.2853 -2 -1 4 2
73.89 2.05 1.2826 -1 4 3 2
73.95 1.54 1.2817 -2 -5 3 2
74.33 1.86 1.2761 0 2 4 2
74.34 1.26 1.2759 -3 4 1 2
74.74 1.52 1.2701 4 4 2 2
74.90 1.52 1.2678 -4 -5 2 2
74.98 3.42 1.2667 5 0 0 2
75.23 2.37 1.2631 3 -4 1 2
75.78 1.17 1.2553 5 1 1 2
75.94 3.47 1.2530 5 3 1 2
76.44 1.08 1.2461 0 -5 3 2
77.78 1.26 1.2279 -4 0 3 2
77.96 1.94 1.2255 -3 -5 3 2
78.74 2.46 1.2153 2 0 4 2
79.27 1.27 1.2085 1 7 1 2
79.50 1.35 1.2056 2 5 3 2
79.60 1.59 1.2043 0 3 4 2
80.62 1.30 1.1916 4 5 2 2
80.82 1.78 1.1892 4 -3 1 2
81.74 1.62 1.1781 -1 -4 4 2
81.97 1.42 1.1755 -5 0 2 2
82.30 1.43 1.1716 -3 0 4 2
82.76 1.88 1.1662 0 7 1 2
82.95 1.20 1.1640 -2 -6 3 2
83.94 2.46 1.1528 5 5 1 2
86.70 1.22 1.1230 -5 2 0 2
86.72 1.67 1.1229 0 4 4 2
86.97 1.72 1.1202 5 0 2 2
87.27 1.52 1.1172 3 1 4 2
87.60 1.68 1.1139 -4 4 0 2
88.37 1.83 1.1061 -4 2 3 2
88.99 1.44 1.1000 1 -7 1 2
89.28 1.95 1.0971 -5 -1 3 2
89.59 1.76 1.0942 -2 -5 4 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.