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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NARSARSUKITE
1, f-narsarsukite
Na(2)(Ti,Fe)(O,OH)[Si(4)O(10)]
Tetragonal I 4/m Z = 4
I4/m
30 .11 .1988
Ref.Str.:
Pjatenko Ju.A., Pudovkina Z.V. (1960)
* Kristallogr., SSSR, 5, 563-573
[ Soviet Physics - Crystallography, 5, 540-548]
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.72 alpha = 90.0
b = 10.72 beta = 90.0
c = 7.99 gamma = 90.0
Unit cell volume (cub. angs.) = 918.2
Molar volume ( cub.cm/mol.) = 138.27
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.135 0.185 0.0 0.0 Na = 1.00
2 0.0 0.0 0.25 0.0 Ti = 0.75, Fe = 0.25
3 0.307 0.013 0.298 0.0 Si = 1.00
4 0.025 0.299 0.5 0.0 O = 1.00
5 0.178 0.049 0.225 0.0 O = 1.00
6 0.402 0.134 0.302 0.0 O = 1.00
7 0.0 0.0 0.5 0.0 O = 1.00
8 0.0 0.0 0.0 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.135 0.185 0.0
2 2 0.0 0.0 0.25
3 3 0.307 0.013 0.298
4 4 0.025 0.299 0.5
5 5 0.178 0.049 0.225
6 6 0.402 0.134 0.302
7 7 0.0 0.0 0.5
8 8 0.0 0.0 0.0
9 1 0.815 0.135 0.0
10 1 0.865 0.815 0.0
11 1 0.185 0.865 0.0
12 3 0.987 0.307 0.298
13 3 0.693 0.987 0.298
14 3 0.013 0.693 0.298
15 4 0.701 0.025 0.5
16 4 0.975 0.701 0.5
17 4 0.299 0.975 0.5
18 5 0.951 0.178 0.225
19 5 0.822 0.951 0.225
20 5 0.049 0.822 0.225
21 6 0.866 0.402 0.302
22 6 0.598 0.866 0.302
23 6 0.134 0.598 0.302
24 1 0.365 0.315 0.5
25 2 0.5 0.5 0.75
26 3 0.193 0.487 0.798
27 4 0.475 0.201 0.0
28 5 0.322 0.451 0.725
29 6 0.098 0.366 0.802
30 7 0.5 0.5 0.0
31 8 0.5 0.5 0.5
32 1 0.685 0.365 0.5
33 1 0.635 0.685 0.5
34 1 0.315 0.635 0.5
35 3 0.513 0.193 0.798
36 3 0.807 0.513 0.798
37 3 0.487 0.807 0.798
38 4 0.799 0.475 0.0
39 4 0.525 0.799 0.0
40 4 0.201 0.525 0.0
41 5 0.549 0.322 0.725
42 5 0.678 0.549 0.725
43 5 0.451 0.678 0.725
44 6 0.634 0.098 0.802
45 6 0.902 0.634 0.802
46 6 0.366 0.902 0.802
47 2 0.0 0.0 0.75
48 3 0.307 0.013 0.702
49 5 0.178 0.049 0.775
50 6 0.402 0.134 0.698
51 3 0.987 0.307 0.702
52 3 0.693 0.987 0.702
53 3 0.013 0.693 0.702
54 5 0.951 0.178 0.775
55 5 0.822 0.951 0.775
56 5 0.049 0.822 0.775
57 6 0.866 0.402 0.698
58 6 0.598 0.866 0.698
59 6 0.134 0.598 0.698
60 2 0.5 0.5 0.25
61 3 0.193 0.487 0.202
62 5 0.322 0.451 0.275
63 6 0.098 0.366 0.198
64 3 0.513 0.193 0.202
65 3 0.807 0.513 0.202
66 3 0.487 0.807 0.202
67 5 0.549 0.322 0.275
68 5 0.678 0.549 0.275
69 5 0.451 0.678 0.275
70 6 0.634 0.098 0.198
71 6 0.902 0.634 0.198
72 6 0.366 0.902 0.198
X-ray density (g/cm cub.) = 2.78
MU (1/cm) = 199.262 Mass attenuation coefficient (cm**2/g) = 71.719
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 7
2.3601 5
2.4551 8
2.6699 5
2.5347 6
2.3601 5
2.6699 5
2.5347 6
2 Ti ,Fe 2.592 6
1.9892 5
1.9975 7
1.9975 8
1.9892 5
1.9892 5
1.9892 5
3 Si 2.1 4
1.5497 5
1.6494 6
1.6668 4
1.5666 6
4 O 3.264 7
3.2165 7
2.672 5
2.5743 6
2.6364 6
2.672 5
2.5743 6
2.6364 6
5 O 3.264 7
2.641 6
2.9572 7
2.6737 8
2.672 4
2.7989 5
2.7989 5
2.5674 6
6 O 3.264 7
2.641 5
2.5743 4
2.6364 4
3.164 6
2.5674 5
2.6504 6
2.6504 6
7 O 3.264 12
3.2165 4
2.9572 5
3.2165 4
3.2165 4
3.2165 4
2.9572 5
2.9572 5
2.9572 5
2.9572 5
2.9572 5
2.9572 5
2.9572 5
8 O 3.264 8
2.6737 5
2.6737 5
2.6737 5
2.6737 5
2.6737 5
2.6737 5
2.6737 5
2.6737 5
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 6.777 13.553 0.066 140.68 4 32.2 69.2
2 1 0 1 8.026 16.052 0.078 99.65 8 18.7 33.0
3 2 0 0 9.606 19.213 0.093 68.9 4 131.7 567.0
4 1 2 1 12.567 25.134 0.122 39.38 8 62.8 147.4
5 2 1 1 12.567 25.134 0.122 39.38 8 4.9 0.9
6 0 0 2 12.938 25.876 0.125 37.04 2 263.2 608.7
7 2 2 0 13.651 27.301 0.132 33.07 4 123.8 240.6
8 1 1 2 14.66 29.32 0.141 28.41 8 8.2 1.8
9 1 3 0 15.299 30.598 0.147 25.92 4 133.9 220.5
10 3 1 0 15.299 30.598 0.147 25.92 4 138.2 235.0
11 3 0 1 15.915 31.83 0.153 23.81 8 147.8 493.8
12 2 0 2 16.215 32.43 0.156 22.87 8 108.7 256.5
13 2 3 1 18.723 37.446 0.179 16.71 8 12.4 2.4
14 3 2 1 18.723 37.446 0.179 16.71 8 18.5 5.4
15 2 2 2 18.984 37.968 0.182 16.2 8 69.0 73.3
16 4 0 0 19.497 38.994 0.187 15.28 4 93.6 63.4
17 1 3 2 20.246 40.491 0.193 14.05 8 27.3 9.9
18 3 1 2 20.246 40.491 0.193 14.05 8 178.0 422.3
19 1 0 3 20.246 40.492 0.193 14.05 8 25.1 8.4
20 3 3 0 20.732 41.464 0.198 13.32 4 234.4 347.4
21 1 4 1 21.21 42.419 0.202 12.66 8 6.1 0.5
22 4 1 1 21.21 42.419 0.202 12.66 8 26.1 8.2
23 2 4 0 21.91 43.82 0.209 11.77 4 20.9 2.4
24 4 2 0 21.91 43.82 0.209 11.77 4 84.3 39.7
25 1 2 3 22.593 45.187 0.215 10.98 8 90.8 85.9
26 2 1 3 22.593 45.187 0.215 10.98 8 6.7 0.5
27 4 0 2 23.697 47.394 0.225 9.86 8 65.3 39.9
28 3 3 2 24.763 49.525 0.234 8.92 8 8.6 0.6
29 3 0 3 24.763 49.526 0.234 8.92 8 4.7 0.2
30 1 5 0 25.179 50.359 0.238 8.59 4 0.4 0.0
31 5 1 0 25.179 50.359 0.238 8.59 4 102.1 42.5
32 3 4 1 25.591 51.183 0.241 8.28 8 8.4 0.6
33 4 3 1 25.591 51.183 0.241 8.28 8 42.4 14.1
34 5 0 1 25.591 51.183 0.241 8.28 8 19.0 2.8
35 2 4 2 25.796 51.592 0.243 8.13 8 92.6 66.1
36 4 2 2 25.796 51.592 0.243 8.13 8 38.2 11.3
37 0 0 4 26.602 53.204 0.25 7.58 2 313.3 176.5
38 2 3 3 26.8 53.601 0.252 7.45 8 127.7 115.3
39 3 2 3 26.8 53.601 0.252 7.45 8 50.8 18.3
40 2 5 1 27.585 55.17 0.259 6.98 8 75.3 37.6
41 5 2 1 27.585 55.17 0.259 6.98 8 76.1 38.4
42 1 1 4 27.586 55.172 0.259 6.98 8 81.5 43.9
43 4 4 0 28.164 56.328 0.264 6.66 4 160.5 81.3
44 2 0 4 28.547 57.093 0.267 6.46 8 70.5 30.4
45 1 5 2 28.736 57.471 0.269 6.36 8 7.6 0.4
46 5 1 2 28.736 57.471 0.269 6.36 8 76.2 35.0
47 1 4 3 28.736 57.472 0.269 6.36 8 10.4 0.7
48 4 1 3 28.736 57.472 0.269 6.36 8 19.5 2.3
49 3 5 0 29.112 58.225 0.272 6.18 4 73.2 15.7
50 5 3 0 29.112 58.225 0.272 6.18 4 4.0 0.0
51 6 0 0 30.042 60.083 0.28 5.76 4 224.7 137.9
52 2 2 4 30.409 60.819 0.283 5.6 8 11.1 0.7
53 1 6 1 31.315 62.629 0.291 5.25 8 31.7 5.0
54 6 1 1 31.315 62.629 0.291 5.25 8 82.1 33.6
55 1 3 4 31.315 62.63 0.291 5.25 8 64.5 20.7
56 3 1 4 31.315 62.63 0.291 5.25 8 52.0 13.5
57 4 4 2 31.494 62.988 0.292 5.18 8 77.7 29.7
58 2 6 0 31.851 63.702 0.295 5.06 4 31.7 2.4
59 6 2 0 31.851 63.702 0.295 5.06 4 146.2 51.3
60 3 5 2 32.383 64.765 0.299 4.88 8 48.1 10.7
61 5 3 2 32.383 64.765 0.299 4.88 8 22.3 2.3
62 3 4 3 32.383 64.766 0.299 4.88 8 133.8 82.8
63 4 3 3 32.383 64.766 0.299 4.88 8 22.7 2.4
64 5 0 3 32.383 64.766 0.299 4.88 8 16.0 1.2
65 4 5 1 33.084 66.168 0.305 4.66 8 36.8 6.0
66 5 4 1 33.084 66.168 0.305 4.66 8 18.0 1.4
67 6 0 2 33.258 66.517 0.307 4.61 8 77.9 26.5
68 4 0 4 33.951 67.902 0.312 4.41 8 74.1 23.0
69 2 5 3 34.123 68.246 0.314 4.37 8 61.4 15.6
70 5 2 3 34.123 68.246 0.314 4.37 8 79.8 26.4
71 1 0 5 34.466 68.933 0.316 4.28 8 11.1 0.5
72 3 6 1 34.807 69.613 0.319 4.19 8 75.8 22.8
73 6 3 1 34.807 69.613 0.319 4.19 8 55.5 12.3
74 3 3 4 34.807 69.614 0.319 4.19 8 138.7 76.5
75 2 6 2 34.977 69.953 0.32 4.15 8 98.5 38.2
76 6 2 2 34.977 69.953 0.32 4.15 8 54.1 11.5
77 2 4 4 35.654 71.307 0.326 3.99 8 37.9 5.4
78 4 2 4 35.654 71.307 0.326 3.99 8 74.5 21.1
79 1 7 0 36.157 72.314 0.33 3.89 4 10.3 0.2
80 5 5 0 36.157 72.314 0.33 3.89 4 114.3 24.1
81 7 1 0 36.157 72.314 0.33 3.89 4 151.0 42.0
82 1 2 5 36.158 72.316 0.33 3.89 8 107.0 42.2
83 2 1 5 36.158 72.316 0.33 3.89 8 9.8 0.4
84 7 0 1 36.491 72.983 0.332 3.82 8 43.8 6.9
85 4 6 0 36.991 73.981 0.336 3.72 4 139.7 34.5
86 6 4 0 36.991 73.981 0.336 3.72 4 102.1 18.4
87 1 6 3 37.488 74.975 0.34 3.63 8 42.8 6.3
88 6 1 3 37.488 74.975 0.34 3.63 8 36.6 4.6
89 3 0 5 37.818 75.636 0.343 3.57 8 175.2 104.1
90 2 7 1 38.146 76.292 0.345 3.52 8 38.9 5.1
91 7 2 1 38.146 76.292 0.345 3.52 8 3.2 0.0
92 1 5 4 38.147 76.294 0.345 3.52 8 23.3 1.8
93 5 1 4 38.147 76.294 0.345 3.52 8 87.2 25.4
94 1 7 2 39.128 78.256 0.353 3.37 8 8.4 0.2
95 5 5 2 39.128 78.256 0.353 3.37 8 34.0 3.7
96 7 1 2 39.128 78.256 0.353 3.37 8 50.9 8.3
97 4 5 3 39.128 78.256 0.353 3.37 8 97.8 30.6
98 5 4 3 39.128 78.256 0.353 3.37 8 37.9 4.6
99 3 7 0 39.453 78.906 0.355 3.33 4 186.1 54.6
100 7 3 0 39.453 78.906 0.355 3.33 4 128.6 26.1
101 2 3 5 39.454 78.908 0.355 3.33 8 48.0 7.3
102 3 2 5 39.454 78.908 0.355 3.33 8 35.0 3.9
103 4 6 2 39.94 79.881 0.359 3.26 8 41.2 5.3
104 6 4 2 39.94 79.881 0.359 3.26 8 165.5 84.8
105 4 4 4 40.588 81.176 0.364 3.18 8 86.0 22.4
106 3 6 3 40.749 81.498 0.365 3.17 8 57.6 10.0
107 6 3 3 40.749 81.498 0.365 3.17 8 15.6 0.7
108 1 4 5 41.072 82.144 0.367 3.13 8 0.7 0.0
109 4 1 5 41.072 82.144 0.367 3.13 8 15.9 0.8
110 5 6 1 41.393 82.786 0.37 3.1 8 29.8 2.6
111 6 5 1 41.393 82.786 0.37 3.1 8 21.6 1.4
112 3 5 4 41.394 82.787 0.37 3.1 8 60.4 10.7
113 5 3 4 41.394 82.787 0.37 3.1 8 40.6 4.8
114 8 0 0 41.875 83.75 0.373 3.05 4 28.6 1.2
115 6 0 4 42.196 84.393 0.375 3.02 8 139.2 55.5
116 0 0 6 42.197 84.394 0.375 3.02 2 53.9 2.1
117 3 7 2 42.356 84.712 0.377 3.01 8 175.7 88.1
118 7 3 2 42.356 84.712 0.377 3.01 8 50.5 7.3
119 7 0 3 42.356 84.713 0.377 3.01 8 100.0 28.6
120 1 8 1 42.996 85.993 0.381 2.95 8 27.5 2.1
121 4 7 1 42.996 85.993 0.381 2.95 8 10.7 0.3
122 7 4 1 42.996 85.993 0.381 2.95 8 26.8 2.0
123 8 1 1 42.996 85.993 0.381 2.95 8 24.0 1.6
124 1 1 6 42.998 85.996 0.381 2.95 8 63.7 11.4
125 2 8 0 43.476 86.952 0.385 2.92 4 2.2 0.0
126 8 2 0 43.476 86.952 0.385 2.92 4 104.1 15.0
127 2 6 4 43.796 87.592 0.387 2.9 8 25.6 1.8
128 6 2 4 43.796 87.592 0.387 2.9 8 107.5 31.8
129 2 0 6 43.797 87.594 0.387 2.9 8 49.3 6.7
130 2 7 3 43.956 87.911 0.388 2.89 8 41.4 4.7
131 7 2 3 43.956 87.911 0.388 2.89 8 1.6 0.0
132 3 4 5 44.275 88.551 0.39 2.87 8 68.9 12.9
133 4 3 5 44.275 88.551 0.39 2.87 8 58.5 9.3
134 5 0 5 44.275 88.551 0.39 2.87 8 18.1 0.9
135 8 0 2 44.753 89.507 0.394 2.84 8 17.8 0.9
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 1 0 6.777 13.553 7.58018 69.2 11.4 11.5 5.6
2 1 0 1 8.026 16.052 6.40631 33.0 5.4 5.5 5.6
3 2 0 0 9.606 19.213 5.36 567.0 93.2 93.6 5.6
4 1 2 1 12.567 25.134 4.1109 148.3 24.4 24.4 5.6
5 0 0 2 12.938 25.876 3.995 608.7 100.0 100.0 5.6
6 2 2 0 13.651 27.301 3.79009 240.6 39.5 39.5 5.6
7 3 1 0 15.299 30.598 3.38996 455.5 74.8 74.6 5.6
8 3 0 1 15.915 31.83 3.26198 493.8 81.1 80.7 5.6
9 2 0 2 16.215 32.43 3.20316 256.5 42.1 41.9 5.6
10 3 2 1 18.723 37.446 2.78652 7.9 1.3 1.3 5.7
11 2 2 2 18.984 37.968 2.74959 73.3 12.0 11.9 5.7
12 4 0 0 19.497 38.994 2.68 63.4 10.4 10.3 5.7
13 3 1 2 20.246 40.491 2.58479 440.7 72.4 71.5 5.7
14 3 3 0 20.732 41.464 2.52673 347.4 57.1 56.3 5.7
15 4 1 1 21.21 42.419 2.47238 8.2 1.3 1.3 5.7
16 4 2 0 21.91 43.82 2.39706 42.1 6.9 6.8 5.7
17 1 2 3 22.593 45.187 2.32819 86.4 14.2 13.9 5.7
18 4 0 2 23.697 47.394 2.2256 39.9 6.6 6.4 5.7
19 5 1 0 25.179 50.359 2.10237 42.5 7.0 6.8 5.8
20 4 3 1 25.591 51.183 2.07074 16.9 2.8 2.7 5.8
21 2 4 2 25.796 51.592 2.05545 77.4 12.7 12.4 5.8
22 0 0 4 26.602 53.204 1.9975 176.5 29.0 28.2 5.8
23 2 3 3 26.8 53.601 1.9838 133.6 22.0 21.3 5.8
24 1 1 4 27.586 55.172 1.93156 119.9 19.7 19.1 5.8
25 4 4 0 28.164 56.328 1.89505 81.3 13.4 12.9 5.8
26 2 0 4 28.547 57.093 1.87175 30.4 5.0 4.8 5.8
27 5 1 2 28.736 57.471 1.86047 37.9 6.2 6.0 5.8
28 3 5 0 29.112 58.225 1.83846 15.7 2.6 2.5 5.8
29 6 0 0 30.042 60.083 1.78667 137.9 22.7 21.8 5.8
30 3 1 4 31.315 62.63 1.72096 72.8 12.0 11.5 5.8
31 4 4 2 31.494 62.988 1.71218 29.7 4.9 4.7 5.9
32 6 2 0 31.851 63.702 1.69498 53.7 8.8 8.5 5.9
33 3 4 3 32.383 64.766 1.6701 99.4 16.3 15.6 5.9
34 4 5 1 33.084 66.168 1.6386 7.4 1.2 1.2 5.9
35 6 0 2 33.258 66.517 1.63099 26.5 4.4 4.2 5.9
36 4 0 4 33.951 67.902 1.60158 23.0 3.8 3.6 5.9
37 5 2 3 34.123 68.246 1.59449 42.0 6.9 6.6 5.9
38 3 3 4 34.807 69.614 1.56698 111.6 18.3 17.4 5.9
39 2 6 2 34.977 69.953 1.56035 49.7 8.2 7.7 5.9
40 4 2 4 35.654 71.307 1.53454 26.5 4.4 4.1 5.9
41 1 2 5 36.158 72.316 1.516 108.7 17.9 16.9 5.9
42 7 0 1 36.491 72.983 1.50405 6.9 1.1 1.1 6.0
43 4 6 0 36.991 73.981 1.4866 52.9 8.7 8.2 6.0
44 1 6 3 37.488 74.975 1.46972 10.9 1.8 1.7 6.0
45 3 0 5 37.818 75.636 1.45877 104.1 17.1 16.0 6.0
46 5 1 4 38.147 76.294 1.4481 32.3 5.3 5.0 6.0
47 5 4 3 39.128 78.256 1.4174 47.2 7.7 7.2 6.0
48 3 7 0 39.453 78.906 1.40761 91.9 15.1 14.1 6.0
49 6 4 2 39.94 79.881 1.39326 90.0 14.8 13.7 6.0
50 4 4 4 40.588 81.176 1.37479 22.4 3.7 3.4 6.1
51 3 6 3 40.749 81.498 1.3703 10.7 1.8 1.6 6.1
52 5 3 4 41.394 82.787 1.35273 19.5 3.2 3.0 6.1
53 6 0 4 42.196 84.393 1.33169 57.6 9.5 8.7 6.1
54 3 7 2 42.356 84.712 1.32761 123.9 20.4 18.7 6.1
55 1 1 6 42.998 85.996 1.31158 17.4 2.9 2.6 6.1
56 8 2 0 43.476 86.952 1.29999 15.0 2.5 2.3 6.1
57 2 0 6 43.797 87.594 1.29238 40.3 6.6 6.0 6.2
58 3 4 5 44.275 88.551 1.28126 23.1 3.8 3.5 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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