Parakeldyshite
Pekov I V, Zubkova N V, Pushcharovsky D Y, Kolitsch U, Tillmanns E
Crystallography Reports 52 (2007) 1066-1071
Refined crystal structure of parakeldyshite and genetic crystal
chemistry of zirconium minerals with [Si2O7] diorthogroups
Locality: Alluaiv Mountain (Lovozero), Kola Peninsula, Russia
_database_code_amcsd 0018674
CELL PARAMETERS: 6.6170 8.8130 5.4260 87.260 85.680 71.750
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 299.553
Density (g/cm3): 3.369
MAX. ABS. INTENSITY / VOLUME**2: 14.05915419
RIR: 1.359
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.57 8.94 8.3670 0 1 0 2
14.12 1.24 6.2714 1 0 0 2
14.79 40.70 5.9907 1 1 0 2
16.39 1.19 5.4088 0 0 1 2
19.31 15.30 4.5962 0 1 1 2
19.77 5.66 4.4903 0 -1 1 2
20.16 8.68 4.4041 -1 1 0 2
21.00 45.26 4.2312 1 0 1 2
21.24 59.61 4.1835 0 2 0 2
21.24 5.43 4.1825 1 1 1 2
21.56 22.68 4.1214 1 2 0 2
22.38 100.00 3.9728 -1 0 1 2
25.68 14.73 3.4686 1 -1 1 2
26.29 1.26 3.3895 1 2 1 2
27.09 5.23 3.2917 2 1 0 2
28.09 14.91 3.1772 -1 -2 1 2
28.46 9.44 3.1357 2 0 0 2
29.11 6.12 3.0678 -1 2 0 2
30.69 54.52 2.9131 2 1 1 2
30.77 53.75 2.9056 1 3 0 2
32.07 18.34 2.7909 2 0 1 2
32.92 17.06 2.7206 -2 -1 1 2
33.02 15.03 2.7129 2 2 1 2
33.12 51.29 2.7044 0 0 2 2
33.40 32.01 2.6827 1 -2 1 2
33.49 2.20 2.6757 -2 1 0 2
33.77 31.53 2.6544 -1 2 1 2
34.20 1.56 2.6217 1 3 1 2
34.59 2.62 2.5928 0 1 2 2
35.32 2.27 2.5414 1 1 2 2
35.85 4.48 2.5051 0 3 1 2
35.90 8.08 2.5018 -1 -3 1 2
36.63 8.45 2.4534 0 -3 1 2
36.78 4.78 2.4435 2 -1 1 2
38.45 1.43 2.3410 2 3 1 2
38.57 1.47 2.3340 1 2 2 2
39.65 14.16 2.2732 -1 1 2 2
40.78 4.50 2.2126 -2 -3 1 2
41.02 21.24 2.2001 1 4 0 2
41.13 5.41 2.1949 3 1 0 2
41.56 9.00 2.1731 2 1 2 2
42.73 1.14 2.1160 1 -3 1 2
42.74 3.92 2.1156 2 0 2 2
43.25 4.61 2.0917 0 4 0 2
43.28 7.39 2.0905 3 0 0 2
43.33 7.25 2.0880 3 1 1 2
43.94 1.39 2.0607 2 4 0 2
44.38 1.23 2.0412 1 -2 2 2
44.47 5.18 2.0375 1 3 2 2
44.96 6.46 2.0163 -1 2 2 2
44.99 2.10 2.0150 -2 -1 2 2
45.25 2.79 2.0038 -1 -4 1 2
45.42 1.03 1.9969 3 3 0 2
45.51 2.23 1.9930 3 0 1 2
45.67 20.58 1.9864 -2 0 2 2
46.07 2.73 1.9701 2 4 1 2
46.13 7.10 1.9679 0 4 1 2
46.64 3.17 1.9475 2 -1 2 2
46.97 1.99 1.9344 0 -4 1 2
47.02 4.50 1.9327 -2 -2 2 2
47.18 11.33 1.9264 -1 -3 2 2
47.26 12.66 1.9234 3 3 1 2
47.42 1.31 1.9172 0 -3 2 2
47.62 3.08 1.9095 -3 0 1 2
48.03 13.36 1.8944 -3 1 0 2
48.30 1.48 1.8841 -2 -4 1 2
51.29 6.36 1.7811 3 4 0 2
51.58 2.48 1.7718 0 1 3 2
51.78 3.67 1.7654 1 1 3 2
52.00 5.95 1.7587 1 5 0 2
52.11 1.93 1.7552 3 2 2 2
52.19 2.91 1.7527 1 -3 2 2
52.30 3.40 1.7493 1 4 2 2
52.31 3.99 1.7488 -1 3 2 2
52.69 4.38 1.7371 2 -3 1 2
52.78 1.29 1.7343 2 -2 2 2
52.98 1.82 1.7283 -1 4 1 2
53.11 4.31 1.7244 1 -4 1 2
53.39 1.36 1.7159 -2 3 1 2
53.46 4.02 1.7141 2 5 0 2
53.68 11.48 1.7074 3 0 2 2
53.79 8.80 1.7042 -1 0 3 2
54.38 2.45 1.6871 1 -1 3 2
54.56 4.68 1.6821 -2 2 2 2
54.86 4.85 1.6734 0 5 0 2
55.09 1.35 1.6670 -1 -4 2 2
55.53 1.64 1.6548 -3 -4 1 2
55.67 1.12 1.6509 -1 -5 1 2
55.85 2.39 1.6461 -3 -1 2 2
56.23 2.28 1.6358 4 1 0 2
56.26 5.22 1.6351 2 1 3 2
56.28 1.04 1.6345 0 -4 2 2
57.12 4.41 1.6126 -1 -2 3 2
57.21 5.96 1.6103 0 5 1 2
57.24 1.70 1.6094 4 2 1 2
57.30 3.97 1.6078 2 0 3 2
57.37 1.13 1.6061 -2 -5 1 2
57.54 5.34 1.6017 2 2 3 2
57.70 1.06 1.5977 4 1 1 2
57.82 6.15 1.5947 4 3 0 2
57.97 4.24 1.5909 3 -1 2 2
58.12 7.59 1.5872 0 -5 1 2
58.38 1.88 1.5807 -3 2 1 2
58.73 2.49 1.5720 1 3 3 2
59.11 5.46 1.5628 1 -2 3 2
59.70 3.04 1.5490 -3 -3 2 2
59.82 4.62 1.5460 -1 2 3 2
59.98 2.87 1.5423 3 4 2 2
60.00 3.78 1.5419 -4 -2 1 2
60.26 3.17 1.5357 -4 -1 1 2
60.34 5.01 1.5339 -2 4 0 2
60.38 9.20 1.5330 3 5 1 2
60.41 3.57 1.5324 -2 -1 3 2
60.42 2.54 1.5322 4 0 1 2
60.42 1.30 1.5321 0 3 3 2
60.72 2.16 1.5253 2 -3 2 2
61.17 4.16 1.5151 -3 1 2 2
61.24 1.20 1.5135 -1 4 2 2
61.65 1.70 1.5045 -1 5 0 2
62.34 3.65 1.4894 2 5 2 2
62.74 5.01 1.4809 -4 0 1 2
63.00 1.04 1.4755 -3 -5 1 2
63.70 1.07 1.4608 1 6 0 2
64.25 2.64 1.4498 3 -2 2 2
64.43 3.11 1.4461 4 1 2 2
64.48 2.46 1.4451 -1 -5 2 2
64.76 4.94 1.4396 0 5 2 2
64.83 4.12 1.4381 -3 -4 2 2
65.55 3.76 1.4240 4 3 2 2
65.59 1.15 1.4232 2 6 1 2
66.03 5.00 1.4149 -2 -3 3 2
66.59 1.57 1.4043 2 4 3 2
66.90 1.30 1.3987 3 5 2 2
67.14 1.93 1.3942 3 3 3 2
67.29 2.99 1.3914 -4 1 1 2
67.71 2.12 1.3838 -2 -6 1 2
67.74 1.92 1.3833 0 4 3 2
68.06 2.73 1.3775 4 5 0 2
69.05 1.06 1.3602 4 5 1 2
69.13 1.02 1.3588 0 6 1 2
69.52 2.86 1.3522 0 0 4 2
70.16 6.11 1.3414 2 -4 2 2
70.27 2.12 1.3395 1 0 4 2
70.88 1.00 1.3295 0 -1 4 2
70.95 2.17 1.3283 -4 -3 2 2
71.02 2.22 1.3272 -2 4 2 2
71.52 3.39 1.3191 -1 5 2 2
71.92 1.26 1.3129 4 -2 1 2
72.03 3.67 1.3111 1 2 4 2
72.05 1.32 1.3107 -3 -6 1 2
72.07 1.60 1.3105 1 -5 2 2
73.09 1.06 1.2946 2 -3 3 2
73.66 1.87 1.2860 2 1 4 2
73.69 1.81 1.2857 5 1 1 2
73.73 1.08 1.2850 -4 2 1 2
74.13 1.71 1.2790 1 -4 3 2
74.26 1.96 1.2771 0 -2 4 2
74.28 1.48 1.2769 -2 5 1 2
74.92 1.70 1.2675 4 5 2 2
75.24 1.48 1.2629 3 -4 1 2
75.85 2.43 1.2543 5 0 0 2
75.86 1.03 1.2541 2 7 0 2
76.19 2.81 1.2496 -3 4 1 2
76.35 2.87 1.2472 -5 -3 1 2
76.49 2.07 1.2454 -5 -1 1 2
76.70 1.14 1.2425 0 5 3 2
77.92 2.95 1.2261 3 5 3 2
78.85 2.09 1.2139 -2 0 4 2
79.06 1.23 1.2112 0 -5 3 2
79.46 1.98 1.2061 -2 -5 3 2
79.52 1.39 1.2054 -1 -7 1 2
79.57 1.17 1.2047 0 -3 4 2
79.91 1.28 1.2005 -1 -3 4 2
80.77 1.70 1.1898 5 5 1 2
81.74 1.07 1.1782 1 4 4 2
81.94 1.67 1.1758 -4 3 1 2
82.45 1.35 1.1698 3 0 4 2
82.73 1.12 1.1665 5 0 2 2
82.74 1.26 1.1664 1 -3 4 2
82.99 1.56 1.1636 2 6 3 2
83.22 1.66 1.1609 0 -7 1 2
84.12 3.50 1.1507 -5 -5 1 2
84.70 1.09 1.1443 -3 5 0 2
85.42 1.56 1.1366 -2 2 4 2
86.75 1.79 1.1226 0 -4 4 2
87.46 1.07 1.1152 -3 -1 4 2
87.86 1.36 1.1112 -5 0 2 2
87.95 1.60 1.1103 -5 2 0 2
88.39 1.05 1.1058 -4 1 3 2
88.88 1.34 1.1010 -4 4 0 2
89.10 2.27 1.0989 4 -2 3 2
89.55 2.20 1.0946 2 5 4 2
89.80 1.26 1.0922 -1 7 1 2
89.82 2.90 1.0920 5 1 3 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.