Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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HILAIRITE
5, analogue, DN
Pb(0.82)Na(0.18)H(0.18)ZrSi(3)O(9).2.9H(2)O
Hexagonal R 3 Z = 3
R =0.0221 NR =1165
28 .6 .10
Ref.Str.:
Zubkova N.V., Kolitsch U., Pekov I.V., Turchkova A.G.,
Vigasina M.F., Pushcharovsky D.Y., Tillmanns E. (1981)
* Eur. J. Mineral., 21, 495-506
R: Sample was synthesized by cation exchange at 150 C.
Sample locality Kirovskii mine, Khibiny alkaline complex,
Kola Peninsula, Russia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.477 alpha = 90.0
b = 10.477 beta = 90.0
c = 7.994 gamma = 120.0
Unit cell volume (cub. angs.) = 759.92
Molar volume ( cub.cm/mol.) = 152.58
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.6479 0.0 Pb = 0.8 , Na = 0.18
2 0.0 0.0 0.456 0.0 Pb = 0.02, Pb = 0.0
3 0.0 0.0 0.0693 0.0 Zr = 1.00
4 0.4099 0.4173 0.5367 0.0 Si = 1.00
5 0.0923 0.1772 0.8923 0.0 O = 1.00
6 0.9077 0.8087 0.2001 0.0 O = 1.00
7 0.6607 0.0182 0.0231 0.0 O = 1.00
8 0.0127 0.2422 0.517 0.0 H(2)O = 0.95, H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.6479
2 2 0.0 0.0 0.456
3 3 0.0 0.0 0.0693
4 4 0.4099 0.4173 0.5367
5 5 0.0923 0.1772 0.8923
6 6 0.9077 0.8087 0.2001
7 7 0.6607 0.0182 0.0231
8 8 0.0127 0.2422 0.517
9 4 0.5827 0.9926 0.5367
10 4 0.0074 0.5901 0.5367
11 5 0.8228 0.9151 0.8923
12 5 0.0849 0.9077 0.8923
13 6 0.1913 0.099 0.2001
14 6 0.901 0.0923 0.2001
15 7 0.9818 0.6425 0.0231
16 7 0.3575 0.3393 0.0231
17 8 0.7578 0.7705 0.517
18 8 0.2295 0.9873 0.517
19 1 0.6667 0.3333 0.9813
20 1 0.3333 0.6667 0.3146
21 2 0.6667 0.3333 0.7893
22 2 0.3333 0.6667 0.1227
23 3 0.6667 0.3333 0.4026
24 3 0.3333 0.6667 0.736
25 4 0.2494 0.3259 0.87
26 4 0.3407 0.2568 0.2034
27 5 0.4895 0.2484 0.2256
28 5 0.4182 0.5744 0.559
29 6 0.858 0.4323 0.5334
30 6 0.2343 0.759 0.8668
31 7 0.6485 0.9758 0.3564
32 7 0.6908 0.006 0.6898
33 8 0.4245 0.1038 0.8503
34 8 0.5628 0.654 0.1837
35 4 0.6741 0.9235 0.87
36 4 0.7432 0.0839 0.2034
37 4 0.0765 0.7506 0.87
38 4 0.916 0.6592 0.2034
39 5 0.7516 0.241 0.2256
40 5 0.4256 0.8439 0.559
41 5 0.759 0.5105 0.2256
42 5 0.1561 0.5817 0.559
43 6 0.5677 0.4256 0.5334
44 6 0.241 0.4754 0.8668
45 6 0.5744 0.142 0.5334
46 6 0.5246 0.7657 0.8668
47 7 0.0242 0.6726 0.3564
48 7 0.994 0.6849 0.6898
49 7 0.3274 0.3515 0.3564
50 7 0.3151 0.3091 0.6898
51 8 0.8962 0.3206 0.8503
52 8 0.346 0.9089 0.1837
53 8 0.6794 0.5755 0.8503
54 8 0.0911 0.4371 0.1837
X-ray density (g/cm cub.) = 3.57
MU (1/cm) = 393.11 Mass attenuation coefficient (cm**2/g) = 110.059
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Na 3.312 9
2.5303 5
2.686 8
2.5303 5
2.5304 5
2.686 8
2.6861 8
3.2879 7
3.2879 7
3.2877 7
2 Pb ,Pb 3.312 6
2.683 6
2.5213 8
2.683 6
2.683 6
2.5213 8
2.5214 8
3 Zr 2.784 6
2.1422 5
2.0266 6
2.1422 5
2.1423 5
2.0266 6
2.0265 6
4 Si 2.268 4
1.6136 5
1.6115 6
1.6441 7
1.6252 7
5 O 3.432 9
3.2754 8
2.7856 5
2.7856 5
2.9413 6
3.0132 6
2.6418 7
2.713 6
2.5991 7
3.1115 8
6 O 3.432 9
3.0132 5
2.9413 5
3.0069 6
3.0069 6
2.6437 7
2.901 8
3.1374 8
2.713 5
2.612 7
7 O 3.432 9
2.6418 5
2.6437 6
2.6939 7
2.6939 7
3.3255 8
2.5992 5
2.6122 6
3.1964 8
3.1706 8
8 H(2)O,H(2)O 3.6 10
3.2754 5
2.901 6
3.1374 6
3.3255 7
3.5885 5
3.1113 5
3.1704 7
3.1962 7
3.2046 8
3.2046 8
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 1 7.378 14.757 0.083 118.32 6 100.7 1245.7
2 1 1 0 8.456 16.911 0.095 89.56 6 246.4 5648.8
3 2 0 -1 11.258 22.516 0.127 49.58 6 138.3 985.5
4 1 0 -2 12.157 24.313 0.137 42.22 6 212.6 1983.4
5 1 2 -1 14.147 28.294 0.159 30.65 6 30.7 30.1
6 2 1 1 14.147 28.294 0.159 30.65 6 165.4 871.4
7 3 0 0 14.755 29.51 0.165 28.02 6 318.5 2952.5
8 2 0 2 14.883 29.765 0.167 27.5 6 292.6 2446.2
9 0 0 3 16.802 33.605 0.188 21.17 2 99.9 73.2
10 2 2 0 17.103 34.205 0.191 20.37 6 213.6 966.1
11 1 2 2 17.215 34.43 0.192 20.08 6 283.5 1676.8
12 2 1 -2 17.215 34.43 0.192 20.08 6 119.1 296.0
13 1 3 1 18.717 37.435 0.208 16.72 6 100.8 176.4
14 3 1 -1 18.717 37.435 0.208 16.72 6 169.7 500.4
15 1 1 -3 18.924 37.849 0.211 16.32 6 193.6 635.6
16 1 1 3 18.924 37.849 0.211 16.32 6 165.0 461.4
17 4 0 1 20.67 41.34 0.229 13.41 6 99.5 137.9
18 1 3 -2 21.205 42.41 0.235 12.67 6 302.3 1202.4
19 3 1 2 21.205 42.41 0.235 12.67 6 185.2 451.6
20 2 3 -1 22.482 44.963 0.248 11.11 6 86.0 85.4
21 3 2 1 22.482 44.963 0.248 11.11 6 57.9 38.7
22 3 0 -3 22.66 45.32 0.25 10.91 6 188.1 400.9
23 3 0 3 22.66 45.32 0.25 10.91 6 214.5 521.5
24 1 4 0 22.895 45.789 0.253 10.66 6 210.8 492.0
25 4 1 0 22.895 45.789 0.253 10.66 6 208.8 483.0
26 4 0 -2 22.983 45.965 0.253 10.57 6 188.8 391.3
27 1 0 4 23.245 46.491 0.256 10.3 6 167.0 298.5
28 2 2 -3 24.354 48.707 0.268 9.27 6 162.3 253.5
29 2 2 3 24.354 48.707 0.268 9.27 6 167.1 268.8
30 2 3 2 24.659 49.319 0.271 9.01 6 198.0 366.9
31 3 2 -2 24.659 49.319 0.271 9.01 6 225.8 477.0
32 2 0 -4 24.908 49.817 0.273 8.8 6 117.6 126.6
33 5 0 -1 25.803 51.605 0.283 8.12 6 166.8 234.8
34 3 3 0 26.176 52.352 0.286 7.86 6 282.7 653.1
35 1 2 -4 26.494 52.988 0.29 7.65 6 120.9 116.1
36 2 1 4 26.494 52.988 0.29 7.65 6 202.8 326.9
37 2 4 1 27.351 54.702 0.298 7.11 6 94.2 65.6
38 4 2 -1 27.351 54.702 0.298 7.11 6 52.8 20.6
39 5 0 2 27.786 55.572 0.303 6.86 6 278.8 554.5
40 1 5 -1 28.842 57.684 0.313 6.31 6 66.9 29.3
41 5 1 1 28.842 57.684 0.313 6.31 6 46.0 13.9
42 1 4 -3 28.991 57.983 0.315 6.23 6 147.6 141.1
43 1 4 3 28.991 57.983 0.315 6.23 6 150.4 146.5
44 4 1 -3 28.991 57.983 0.315 6.23 6 127.2 104.9
45 4 1 3 28.991 57.983 0.315 6.23 6 165.4 177.2
46 2 4 -2 29.263 58.525 0.317 6.11 6 137.7 120.2
47 4 2 2 29.263 58.525 0.317 6.11 6 219.0 304.2
48 1 0 -5 29.289 58.577 0.318 6.09 6 231.3 338.7
49 1 3 4 29.484 58.969 0.319 6.0 6 68.8 29.5
50 3 1 -4 29.484 58.969 0.319 6.0 6 182.5 207.7
51 6 0 0 30.622 61.244 0.331 5.52 6 187.2 200.7
52 1 5 2 30.694 61.388 0.331 5.49 6 193.0 212.2
53 5 1 -2 30.694 61.388 0.331 5.49 6 173.7 172.0
54 2 0 5 30.719 61.438 0.332 5.48 6 143.2 116.7
55 4 0 4 30.909 61.819 0.333 5.4 6 109.6 67.4
56 3 4 -1 31.689 63.378 0.341 5.11 6 90.8 43.8
57 4 3 1 31.689 63.378 0.341 5.11 6 63.3 21.3
58 3 3 -3 31.83 63.66 0.342 5.06 6 208.6 229.1
59 3 3 3 31.83 63.66 0.342 5.06 6 158.2 131.7
60 2 5 0 32.017 64.034 0.344 5.0 6 270.1 379.1
61 5 2 0 32.017 64.034 0.344 5.0 6 259.2 349.1
62 1 2 5 32.112 64.223 0.345 4.97 6 209.7 227.0
63 2 1 -5 32.112 64.223 0.345 4.97 6 260.0 348.9
64 2 3 -4 32.297 64.595 0.347 4.91 6 110.8 62.5
65 3 2 4 32.297 64.595 0.347 4.91 6 109.2 60.8
66 3 4 2 33.448 66.896 0.358 4.55 6 156.7 116.1
67 4 3 -2 33.448 66.896 0.358 4.55 6 211.1 210.8
68 1 6 1 34.4 68.8 0.367 4.29 6 73.2 23.9
69 6 1 -1 34.4 68.8 0.367 4.29 6 83.4 31.0
70 1 3 -5 34.806 69.612 0.371 4.19 6 158.7 109.7
71 3 1 5 34.806 69.612 0.371 4.19 6 211.3 194.4
72 5 0 -4 34.984 69.969 0.372 4.15 6 106.5 48.9
73 0 0 6 35.32 70.64 0.375 4.07 2 135.7 26.0
74 6 0 -3 35.851 71.702 0.38 3.95 6 205.6 173.6
75 6 0 3 35.851 71.702 0.38 3.95 6 212.6 185.6
76 4 4 0 36.027 72.054 0.382 3.91 6 232.2 219.3
77 1 6 -2 36.094 72.187 0.382 3.9 6 173.6 122.1
78 6 1 2 36.094 72.187 0.382 3.9 6 136.1 75.0
79 4 0 -5 36.117 72.234 0.383 3.89 6 234.0 221.6
80 2 4 4 36.293 72.585 0.384 3.86 6 178.2 127.3
81 4 2 -4 36.293 72.585 0.384 3.86 6 120.9 58.6
82 1 1 -6 36.623 73.246 0.387 3.79 6 81.6 26.3
83 1 1 6 36.623 73.246 0.387 3.79 6 110.8 48.4
84 3 5 1 37.015 74.03 0.391 3.72 6 65.5 16.6
85 5 3 -1 37.015 74.03 0.391 3.72 6 83.2 26.7
86 7 0 1 37.015 74.03 0.391 3.72 6 173.2 115.9
87 2 5 -3 37.146 74.293 0.392 3.69 6 81.9 25.7
88 2 5 3 37.146 74.293 0.392 3.69 6 80.9 25.1
89 5 2 -3 37.146 74.293 0.392 3.69 6 96.8 36.0
90 5 2 3 37.146 74.293 0.392 3.69 6 81.5 25.5
91 2 3 5 37.409 74.818 0.394 3.65 6 169.5 108.8
92 3 2 -5 37.409 74.818 0.394 3.65 6 176.1 117.4
93 1 5 -4 37.582 75.164 0.396 3.61 6 114.3 49.0
94 5 1 4 37.582 75.164 0.396 3.61 6 123.0 56.8
95 2 6 -1 38.296 76.592 0.402 3.5 6 22.4 1.8
96 6 2 1 38.296 76.592 0.402 3.5 6 128.1 59.6
97 3 5 -2 38.662 77.325 0.406 3.44 6 166.4 98.9
98 5 3 2 38.662 77.325 0.406 3.44 6 158.4 89.6
99 7 0 -2 38.662 77.325 0.406 3.44 6 240.9 207.4
100 3 0 -6 39.18 78.359 0.41 3.36 6 59.1 12.2
101 3 0 6 39.18 78.359 0.41 3.36 6 70.5 17.4
102 1 7 0 39.862 79.724 0.416 3.27 6 156.1 82.9
103 7 1 0 39.862 79.724 0.416 3.27 6 160.9 88.0
104 2 6 2 39.926 79.853 0.417 3.26 6 185.9 117.2
105 6 2 -2 39.926 79.853 0.417 3.26 6 116.1 45.7
106 5 0 5 39.949 79.898 0.417 3.26 6 114.7 44.6
107 3 4 -4 40.119 80.238 0.418 3.24 6 149.9 75.7
108 4 3 4 40.119 80.238 0.418 3.24 6 107.7 39.0
109 2 2 -6 40.439 80.878 0.421 3.2 6 106.3 37.6
110 2 2 6 40.439 80.878 0.421 3.2 6 46.1 7.1
111 4 4 -3 40.947 81.895 0.425 3.14 6 84.1 23.1
112 4 4 3 40.947 81.895 0.425 3.14 6 150.8 74.3
113 2 4 -5 41.203 82.405 0.428 3.12 6 202.2 132.4
114 4 2 5 41.203 82.405 0.428 3.12 6 200.2 129.8
115 4 5 -1 42.068 84.136 0.435 3.03 6 81.4 20.8
116 5 4 1 42.068 84.136 0.435 3.03 6 46.5 6.8
117 3 6 0 42.363 84.727 0.437 3.01 6 171.9 92.3
118 6 3 0 42.363 84.727 0.437 3.01 6 194.2 117.7
119 1 5 5 42.449 84.898 0.438 3.0 6 197.3 121.3
120 5 1 -5 42.449 84.898 0.438 3.0 6 178.7 99.5
121 1 6 4 42.617 85.235 0.44 2.98 6 123.9 47.6
122 6 1 -4 42.617 85.235 0.44 2.98 6 167.7 87.2
123 1 0 7 42.83 85.66 0.441 2.97 6 197.9 120.8
124 8 0 -1 43.311 86.622 0.445 2.93 6 41.3 5.2
125 4 5 2 43.669 87.337 0.448 2.91 6 159.1 76.5
126 5 4 -2 43.669 87.337 0.448 2.91 6 148.6 66.7
127 2 0 -7 44.07 88.141 0.451 2.88 6 178.3 95.2
128 1 4 -6 44.175 88.35 0.452 2.87 6 80.3 19.2
129 1 4 6 44.175 88.35 0.452 2.87 6 72.9 15.9
130 4 1 -6 44.175 88.35 0.452 2.87 6 46.3 6.4
131 4 1 6 44.175 88.35 0.452 2.87 6 93.3 26.0
132 2 7 1 44.551 89.102 0.455 2.85 6 86.2 22.0
133 7 2 -1 44.551 89.102 0.455 2.85 6 84.0 20.9
134 1 7 -3 44.677 89.355 0.456 2.85 6 130.1 50.0
135 1 7 3 44.677 89.355 0.456 2.85 6 170.9 86.3
136 7 1 -3 44.677 89.355 0.456 2.85 6 135.4 54.2
137 7 1 3 44.677 89.355 0.456 2.85 6 140.3 58.2
138 8 0 2 44.908 89.816 0.458 2.83 6 163.6 78.8
139 3 4 5 44.93 89.86 0.458 2.83 6 191.2 107.5
140 4 3 -5 44.93 89.86 0.458 2.83 6 158.1 73.6
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 1 7.378 14.757 5.9981 1245.7 22.1 22.1 5.6
2 1 1 0 8.456 16.911 5.2385 5648.8 100.0 100.0 5.6
3 2 0 1 11.258 22.516 3.94558 985.5 17.4 17.4 5.6
4 1 0 2 12.157 24.313 3.65781 1983.4 35.1 34.9 5.6
5 2 1 1 14.147 28.294 3.15163 901.4 16.0 15.8 5.6
6 3 0 0 14.755 29.51 3.02445 2952.5 52.3 51.8 5.6
7 2 0 2 14.883 29.765 2.99905 2446.2 43.3 42.9 5.6
8 0 0 3 16.802 33.605 2.66467 73.2 1.3 1.3 5.7
9 2 2 0 17.103 34.205 2.61925 966.1 17.1 16.9 5.7
10 1 2 2 17.215 34.43 2.6027 1972.7 34.9 34.5 5.7
11 3 1 1 18.717 37.435 2.40037 676.8 12.0 11.8 5.7
12 1 1 3 18.924 37.849 2.37506 1097.0 19.4 19.1 5.7
13 4 0 1 20.67 41.34 2.18219 137.9 2.4 2.4 5.7
14 1 3 2 21.205 42.41 2.12957 1654.0 29.3 28.7 5.7
15 2 3 1 22.482 44.963 2.0144 124.1 2.2 2.1 5.7
16 3 0 3 22.66 45.32 1.99937 922.4 16.3 15.9 5.7
17 1 4 0 22.895 45.789 1.97997 975.0 17.3 16.8 5.7
18 4 0 2 22.983 45.965 1.97279 391.3 6.9 6.8 5.7
19 1 0 4 23.245 46.491 1.95172 298.5 5.3 5.2 5.7
20 2 2 3 24.354 48.707 1.86794 522.3 9.2 9.0 5.7
21 3 2 2 24.659 49.319 1.84621 843.9 14.9 14.5 5.7
22 2 0 4 24.908 49.817 1.82891 126.6 2.2 2.2 5.7
23 5 0 1 25.803 51.605 1.76965 234.8 4.2 4.0 5.8
24 3 3 0 26.176 52.352 1.74617 653.1 11.6 11.2 5.8
25 2 1 4 26.494 52.988 1.7267 443.0 7.8 7.6 5.8
26 2 4 1 27.351 54.702 1.67657 86.3 1.5 1.5 5.8
27 5 0 2 27.786 55.572 1.65235 554.5 9.8 9.5 5.8
28 4 1 3 28.991 57.983 1.58926 569.7 10.1 9.7 5.8
29 1 0 5 29.289 58.577 1.57454 763.2 13.5 13.0 5.8
30 3 1 4 29.484 58.969 1.56501 237.2 4.2 4.0 5.8
31 6 0 0 30.622 61.244 1.51222 200.7 3.6 3.4 5.8
32 1 5 2 30.694 61.388 1.50902 500.9 8.9 8.5 5.8
33 4 0 4 30.909 61.819 1.49953 67.4 1.2 1.1 5.8
34 3 4 1 31.689 63.378 1.46634 65.1 1.2 1.1 5.9
35 3 3 3 31.83 63.66 1.46051 360.8 6.4 6.1 5.9
36 2 5 0 32.017 64.034 1.4529 728.2 12.9 12.3 5.9
37 2 1 5 32.112 64.223 1.44906 575.9 10.2 9.7 5.9
38 2 3 4 32.297 64.595 1.44163 123.3 2.2 2.1 5.9
39 4 3 2 33.448 66.896 1.3975 326.9 5.8 5.5 5.9
40 3 1 5 34.806 69.612 1.34948 304.1 5.4 5.1 5.9
41 6 0 3 35.851 71.702 1.31519 359.2 6.4 6.0 5.9
42 4 4 0 36.027 72.054 1.30963 219.3 3.9 3.6 5.9
43 4 0 5 36.117 72.234 1.30681 418.7 7.4 7.0 5.9
44 2 4 4 36.293 72.585 1.30135 185.9 3.3 3.1 6.0
45 1 1 6 36.623 73.246 1.29123 74.6 1.3 1.2 6.0
46 7 0 1 37.015 74.03 1.27948 159.2 2.8 2.6 6.0
47 5 2 3 37.146 74.293 1.27561 112.3 2.0 1.9 6.0
48 3 2 5 37.409 74.818 1.26796 226.2 4.0 3.7 6.0
49 5 1 4 37.582 75.164 1.26296 105.8 1.9 1.7 6.0
50 6 2 1 38.296 76.592 1.24294 61.4 1.1 1.0 6.0
51 7 0 2 38.662 77.325 1.23298 395.9 7.0 6.5 6.0
52 7 1 0 39.862 79.724 1.20179 170.9 3.0 2.8 6.0
53 2 6 2 39.926 79.853 1.20018 207.6 3.7 3.4 6.0
54 3 4 4 40.119 80.238 1.19539 114.7 2.0 1.9 6.0
55 4 4 3 40.947 81.895 1.17534 97.4 1.7 1.6 6.1
56 2 4 5 41.203 82.405 1.16935 262.2 4.6 4.3 6.1
57 6 3 0 42.363 84.727 1.14313 210.1 3.7 3.4 6.1
58 1 5 5 42.449 84.898 1.14126 220.8 3.9 3.6 6.1
59 6 1 4 42.617 85.235 1.13762 134.8 2.4 2.2 6.1
60 1 0 7 42.83 85.66 1.13306 120.8 2.1 1.9 6.1
61 4 5 2 43.669 87.337 1.11556 143.1 2.5 2.3 6.2
62 2 0 7 44.07 88.141 1.10745 95.2 1.7 1.5 6.2
63 4 1 6 44.175 88.35 1.10537 67.5 1.2 1.1 6.2
64 7 1 3 44.677 89.355 1.09553 248.7 4.4 4.0 6.2
65 3 4 5 44.93 89.86 1.09067 259.9 4.6 4.1 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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