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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GUNNINGITE
1, t-kieserite, f-gunningite
(Zn,Mn)SO(4).H(2)O
Monoclinic C 2/c Z = 4
C2/c
8 .4 .1994
Ref.Str.:
J.Leonhardt, R.Weiss (1957)
* Naturwissenschaften, 44, 338-339
Ref.Composition & Lattice:
Povarennih A.S.(1966)
* Kristallohim. klassif. miner. vidov (in Russia)
Reserv:
The coordinates of atoms are from kieserite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.95 alpha = 90.0
b = 7.59 beta = 115.94
c = 7.57 gamma = 90.0
Unit cell volume (cub. angs.) = 359.09
Molar volume ( cub.cm/mol.) = 54.07
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.0 0.0 Zn = 0.97, Mn = 0.03
2 0.0 0.158 0.25 0.0 S = 1.00
3 0.0 0.64 0.25 0.0 O = 1.00
4 0.113 0.273 0.167 0.0 O = 1.00
5 0.167 0.043 0.413 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.0
2 2 0.0 0.158 0.25
3 3 0.0 0.64 0.25
4 4 0.113 0.273 0.167
5 5 0.167 0.043 0.413
6 2 0.0 0.842 0.75
7 3 0.0 0.36 0.75
8 4 0.887 0.727 0.833
9 5 0.833 0.957 0.587
10 1 0.0 0.5 0.5
11 4 0.113 0.727 0.667
12 5 0.167 0.957 0.913
13 4 0.887 0.273 0.333
14 5 0.833 0.043 0.087
15 1 0.5 0.0 0.5
16 2 0.5 0.342 0.75
17 3 0.5 0.86 0.75
18 4 0.613 0.227 0.667
19 5 0.667 0.457 0.913
20 2 0.5 0.658 0.25
21 3 0.5 0.14 0.25
22 4 0.387 0.773 0.333
23 5 0.333 0.543 0.087
24 1 0.5 0.0 0.0
25 4 0.613 0.773 0.167
26 5 0.667 0.543 0.413
27 4 0.387 0.227 0.833
28 5 0.333 0.457 0.587
X-ray density (g/cm cub.) = 3.28
MU (1/cm) = 149.23 Mass attenuation coefficient (cm**2/g) = 45.564
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn ,Mn 2.724 6
2.1704 3
2.0772 4
2.1704 3
2.0772 4
2.1361 5
2.1361 5
2 S 1.98 4
1.485 4
1.5423 5
1.485 4
1.5423 5
3 O 3.264 10
3.0335 4
2.9747 4
2.9747 4
3.0335 4
2.9374 5
2.6776 4
3.1495 5
2.6776 4
3.1495 5
2.9374 5
4 O 3.264 10
3.0335 3
2.4586 5
2.9747 3
3.1971 5
2.4027 4
2.484 5
3.1688 5
2.6776 3
2.7775 5
3.1849 5
5 O 3.264 10
2.4586 4
3.1976 5
3.1971 4
2.484 4
2.543 5
2.9374 3
3.1688 4
3.1495 3
2.7775 4
3.1849 4
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 1 0 9.187 18.374 0.104 75.53 4 69.8 1143.1
2 1 1 -1 9.296 18.592 0.105 73.72 4 60.3 832.1
3 0 2 0 11.711 23.422 0.132 45.66 2 67.9 326.3
4 1 1 1 12.986 25.972 0.146 36.75 4 67.9 525.4
5 0 0 2 13.08 26.16 0.147 36.19 2 17.3 16.8
6 1 1 -2 13.221 26.441 0.148 35.39 4 138.1 2094.2
7 0 2 1 13.437 26.875 0.151 34.19 4 73.8 578.2
8 2 0 0 14.27 28.541 0.16 30.09 2 154.0 1106.1
9 2 0 -2 14.557 29.114 0.163 28.84 2 9.2 3.8
10 2 2 -1 17.494 34.987 0.195 19.39 4 81.1 395.2
11 0 2 2 17.698 35.396 0.197 18.91 4 153.5 1382.8
12 1 1 2 18.54 37.081 0.206 17.07 4 50.8 136.8
13 2 2 0 18.621 37.242 0.207 16.91 4 41.3 89.3
14 1 1 -3 18.825 37.65 0.209 16.51 4 12.8 8.4
15 2 2 -2 18.848 37.697 0.21 16.46 4 40.3 83.1
16 1 3 0 19.175 38.351 0.213 15.85 4 84.2 348.4
17 1 3 -1 19.231 38.462 0.214 15.75 4 15.1 11.2
18 3 1 -1 20.55 41.099 0.228 13.59 4 22.2 20.9
19 3 1 -2 20.707 41.413 0.23 13.36 4 120.3 599.6
20 1 3 1 21.379 42.759 0.237 12.44 4 53.2 109.2
21 1 3 -2 21.532 43.063 0.238 12.24 4 72.8 201.5
22 2 2 1 21.904 43.807 0.242 11.78 4 30.2 33.4
23 2 2 -3 22.3 44.6 0.246 11.31 4 79.6 222.6
24 3 1 0 22.546 45.091 0.249 11.04 4 107.8 397.5
25 3 1 -3 22.981 45.963 0.253 10.57 4 2.8 0.3
26 0 2 3 23.298 46.596 0.257 10.25 4 36.2 41.7
27 2 0 2 23.639 47.278 0.26 9.91 2 7.7 0.9
28 0 4 0 23.95 47.901 0.264 9.62 2 85.5 109.2
29 2 0 -4 24.198 48.397 0.266 9.4 2 89.3 116.3
30 1 1 3 24.904 49.808 0.273 8.81 4 37.1 37.6
31 0 4 1 24.924 49.849 0.274 8.79 4 2.0 0.1
32 1 1 -4 25.219 50.439 0.277 8.56 4 98.8 259.1
33 1 3 2 25.364 50.729 0.278 8.45 4 45.9 55.2
34 1 3 -3 25.587 51.173 0.28 8.28 4 7.4 1.4
35 3 1 1 26.308 52.615 0.288 7.77 4 12.8 4.0
36 4 0 -2 26.325 52.649 0.288 7.76 2 66.5 53.2
37 2 2 2 26.706 53.413 0.292 7.51 4 141.7 467.8
38 0 0 4 26.912 53.823 0.294 7.38 2 95.6 104.7
39 3 1 -4 26.954 53.909 0.294 7.35 4 45.7 47.6
40 3 3 -1 26.965 53.929 0.294 7.35 4 12.2 3.4
41 3 3 -2 27.093 54.185 0.296 7.27 4 50.5 57.5
42 2 2 -4 27.219 54.439 0.297 7.19 4 76.3 129.8
43 2 4 -1 27.552 55.104 0.3 7.0 4 26.4 15.1
44 0 4 2 27.695 55.39 0.302 6.92 4 109.7 258.2
45 2 4 0 28.354 56.709 0.308 6.56 4 31.4 20.0
46 2 4 -2 28.519 57.039 0.31 6.47 4 120.5 291.2
47 3 3 0 28.618 57.236 0.311 6.42 4 126.2 317.1
48 3 3 -3 28.986 57.972 0.315 6.24 4 45.6 40.3
49 4 2 -2 29.189 58.379 0.317 6.14 4 84.0 134.5
50 4 0 0 29.538 59.075 0.32 5.98 2 80.3 59.8
51 0 2 4 29.739 59.477 0.322 5.89 4 54.9 55.0
52 4 2 -1 29.884 59.767 0.323 5.82 4 41.0 30.4
53 4 0 -4 30.178 60.356 0.326 5.7 2 160.6 227.9
54 4 2 -3 30.202 60.405 0.327 5.69 4 57.3 58.0
55 1 3 3 30.639 61.278 0.331 5.51 4 31.4 16.9
56 2 4 1 30.837 61.674 0.333 5.43 4 48.0 38.9
57 1 3 -4 30.914 61.829 0.333 5.4 4 125.9 265.6
58 2 4 -3 31.15 62.3 0.336 5.31 4 33.0 17.9
59 3 1 2 31.399 62.798 0.338 5.22 4 92.1 137.4
60 1 5 0 31.479 62.958 0.339 5.19 4 69.0 76.6
61 1 5 -1 31.518 63.035 0.339 5.18 4 15.5 3.9
62 3 3 1 31.872 63.745 0.343 5.05 4 11.1 1.9
63 1 1 4 31.894 63.788 0.343 5.04 4 49.3 38.1
64 0 4 3 31.95 63.899 0.343 5.02 4 56.6 49.9
65 3 1 -5 32.209 64.418 0.346 4.94 4 16.1 3.9
66 4 2 0 32.218 64.436 0.346 4.93 4 67.2 69.0
67 1 1 -5 32.24 64.479 0.346 4.93 4 14.1 3.1
68 3 3 -4 32.447 64.895 0.348 4.86 4 85.9 111.1
69 2 2 3 32.608 65.216 0.35 4.81 4 44.3 29.3
70 4 2 -4 32.828 65.656 0.352 4.74 4 70.7 73.5
71 1 5 1 33.066 66.132 0.354 4.66 4 12.9 2.4
72 1 5 -2 33.179 66.358 0.355 4.63 4 88.2 111.8
73 2 2 -5 33.214 66.428 0.356 4.62 4 36.2 18.8
74 5 1 -2 34.405 68.809 0.367 4.29 4 51.8 35.7
75 5 1 -3 34.59 69.179 0.368 4.25 4 24.5 7.9
76 2 4 2 34.791 69.583 0.37 4.2 4 88.0 100.8
77 2 4 -4 35.232 70.465 0.374 4.09 4 5.3 0.4
78 5 1 -1 35.781 71.561 0.38 3.97 4 0.4 0.0
79 4 2 1 36.022 72.043 0.382 3.91 4 54.8 36.5
80 1 5 2 36.169 72.337 0.383 3.88 4 55.7 37.4
81 5 1 -4 36.325 72.65 0.385 3.85 4 47.6 27.1
82 1 5 -3 36.35 72.7 0.385 3.85 4 43.5 22.6
83 3 3 2 36.501 73.002 0.386 3.82 4 56.0 37.1
84 4 2 -5 36.889 73.778 0.39 3.74 4 45.8 24.3
85 0 2 5 36.947 73.894 0.39 3.73 4 54.1 33.8
86 4 4 -2 36.956 73.912 0.39 3.73 4 120.3 167.2
87 1 3 4 36.962 73.925 0.39 3.73 4 76.5 67.7
88 2 0 4 37.063 74.125 0.391 3.71 2 154.4 137.2
89 3 3 -5 37.257 74.513 0.393 3.67 4 8.3 0.8
90 1 3 -5 37.286 74.571 0.393 3.67 4 10.9 1.3
91 0 4 4 37.444 74.889 0.395 3.64 4 12.7 1.8
92 3 5 -1 37.489 74.977 0.395 3.63 4 49.3 27.4
93 0 6 0 37.511 75.022 0.395 3.63 2 84.1 39.8
94 4 4 -1 37.574 75.148 0.396 3.62 4 63.9 45.8
95 3 1 3 37.587 75.174 0.396 3.61 4 45.4 23.1
96 3 5 -2 37.596 75.192 0.396 3.61 4 94.2 99.5
97 2 0 -6 37.778 75.557 0.398 3.58 2 37.2 7.7
98 4 4 -3 37.859 75.719 0.398 3.57 4 23.5 6.1
99 0 6 1 38.268 76.536 0.402 3.5 4 24.2 6.4
100 3 1 -6 38.548 77.095 0.405 3.46 4 47.7 24.4
101 5 1 0 38.649 77.297 0.405 3.44 4 37.1 14.7
102 4 0 2 38.755 77.51 0.406 3.43 2 1.1 0.0
103 3 5 0 38.892 77.784 0.408 3.41 4 47.0 23.3
104 3 5 -3 39.21 78.419 0.41 3.36 4 12.2 1.5
105 5 3 -2 39.328 78.657 0.411 3.34 4 22.4 5.2
106 2 2 4 39.49 78.98 0.413 3.32 4 48.5 24.2
107 5 3 -3 39.504 79.009 0.413 3.32 4 18.5 3.5
108 5 1 -5 39.531 79.062 0.413 3.32 4 47.4 23.1
109 1 1 5 39.616 79.233 0.414 3.3 4 16.8 2.9
110 4 4 0 39.689 79.378 0.415 3.29 4 4.1 0.2
111 4 0 -6 39.883 79.766 0.416 3.27 2 3.3 0.1
112 1 1 -6 40.003 80.006 0.417 3.25 4 81.9 67.8
113 2 4 3 40.047 80.095 0.418 3.25 4 6.3 0.4
114 2 2 -6 40.193 80.385 0.419 3.23 4 84.4 71.4
115 4 4 -4 40.25 80.501 0.419 3.22 4 43.0 18.5
116 2 6 -1 40.393 80.786 0.421 3.21 4 2.7 0.1
117 0 6 2 40.512 81.025 0.422 3.19 4 30.7 9.3
118 2 4 -5 40.608 81.215 0.422 3.18 4 56.0 30.9
119 5 3 -1 40.643 81.286 0.423 3.18 4 4.3 0.2
120 1 5 3 40.658 81.317 0.423 3.18 4 21.2 4.4
121 1 5 -4 40.903 81.806 0.425 3.15 4 39.1 15.0
122 2 6 0 41.065 82.13 0.426 3.13 4 94.4 86.5
123 4 2 2 41.153 82.307 0.427 3.12 4 50.2 24.4
124 5 3 -4 41.167 82.333 0.427 3.12 4 67.1 43.5
125 2 6 -2 41.205 82.409 0.428 3.12 4 13.0 1.6
126 3 5 1 41.762 83.524 0.432 3.06 4 31.9 9.7
127 6 0 -2 42.226 84.451 0.436 3.02 2 13.5 0.9
128 4 2 -6 42.266 84.533 0.437 3.01 4 100.5 94.5
129 3 5 -4 42.283 84.566 0.437 3.01 4 37.4 13.1
130 3 3 3 42.387 84.773 0.438 3.0 4 1.2 0.0
131 6 0 -4 42.642 85.284 0.44 2.98 2 109.6 55.6
132 0 0 6 42.76 85.52 0.441 2.97 2 15.9 1.2
133 5 1 1 42.928 85.855 0.442 2.96 4 2.2 0.0
134 2 6 1 43.208 86.416 0.444 2.94 4 51.3 24.0
135 4 4 1 43.248 86.496 0.445 2.94 4 25.8 6.1
136 3 3 -6 43.322 86.644 0.445 2.93 4 26.1 6.2
137 5 3 0 43.421 86.841 0.446 2.92 4 79.5 57.3
138 2 6 -3 43.485 86.97 0.447 2.92 4 9.3 0.8
139 6 2 -3 44.064 88.128 0.451 2.88 4 22.5 4.5
140 4 4 -5 44.078 88.156 0.452 2.88 4 7.6 0.5
141 0 4 5 44.134 88.268 0.452 2.88 4 29.4 7.7
142 5 1 -6 44.139 88.277 0.452 2.88 4 76.9 52.7
143 0 6 3 44.199 88.397 0.453 2.87 4 40.3 14.5
144 5 3 -5 44.285 88.57 0.453 2.87 4 3.9 0.1
145 1 3 5 44.369 88.738 0.454 2.86 4 21.4 4.1
146 6 2 -2 44.59 89.181 0.456 2.85 4 90.2 71.9
147 1 3 -6 44.749 89.498 0.457 2.84 4 33.6 9.9
148 3 1 4 44.902 89.803 0.458 2.83 4 37.3 12.2
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 1 0 9.187 18.374 4.82466 1143.1 54.6 54.9 5.6
2 1 1 -1 9.296 18.592 4.76858 832.1 39.7 40.0 5.6
3 0 2 0 11.711 23.422 3.795 326.3 15.6 15.6 5.6
4 1 1 1 12.986 25.972 3.42789 525.4 25.1 25.1 5.6
5 1 1 -2 13.221 26.441 3.36809 2094.2 100.0 100.0 5.6
6 0 2 1 13.437 26.875 3.31471 578.2 27.6 27.6 5.6
7 2 0 0 14.27 28.541 3.1249 1106.1 52.8 52.7 5.6
8 2 2 -1 17.494 34.987 2.56247 395.2 18.9 18.7 5.7
9 0 2 2 17.698 35.396 2.53385 1382.8 66.0 65.5 5.7
10 1 1 2 18.54 37.081 2.42247 136.8 6.5 6.5 5.7
11 2 2 0 18.621 37.242 2.41233 89.3 4.3 4.2 5.7
12 2 2 -2 18.848 37.697 2.38429 91.6 4.4 4.3 5.7
13 1 3 0 19.175 38.351 2.34513 348.4 16.6 16.5 5.7
14 3 1 -2 20.707 41.413 2.17849 599.6 28.6 28.3 5.7
15 1 3 1 21.379 42.759 2.11301 109.2 5.2 5.1 5.7
16 1 3 -2 21.532 43.063 2.09878 201.5 9.6 9.5 5.7
17 2 2 1 21.904 43.807 2.06483 33.4 1.6 1.6 5.7
18 2 2 -3 22.3 44.6 2.02995 222.6 10.6 10.5 5.7
19 3 1 0 22.546 45.091 2.00897 397.5 19.0 18.7 5.7
20 0 2 3 23.298 46.596 1.94753 41.7 2.0 2.0 5.7
21 0 4 0 23.95 47.901 1.8975 109.2 5.2 5.1 5.7
22 2 0 -4 24.198 48.397 1.8792 116.3 5.6 5.4 5.7
23 1 1 3 24.904 49.808 1.8292 37.7 1.8 1.8 5.7
24 1 1 -4 25.219 50.439 1.80781 259.1 12.4 12.1 5.8
25 1 3 2 25.364 50.729 1.79816 55.2 2.6 2.6 5.8
26 4 0 -2 26.325 52.649 1.737 57.1 2.7 2.7 5.8
27 2 2 2 26.706 53.413 1.71394 467.8 22.3 21.7 5.8
28 0 0 4 26.912 53.823 1.70184 104.7 5.0 4.9 5.8
29 3 1 -4 26.954 53.909 1.69935 51.0 2.4 2.4 5.8
30 3 3 -2 27.093 54.185 1.69132 57.5 2.7 2.7 5.8
31 2 2 -4 27.219 54.439 1.68404 129.8 6.2 6.0 5.8
32 0 4 2 27.695 55.39 1.65735 258.2 12.3 12.0 5.8
33 2 4 -2 28.519 57.039 1.6133 291.2 13.9 13.5 5.8
34 3 3 0 28.618 57.236 1.60822 317.1 15.1 14.7 5.8
35 3 3 -3 28.986 57.972 1.58953 40.3 1.9 1.9 5.8
36 4 2 -2 29.189 58.379 1.57942 134.5 6.4 6.2 5.8
37 4 0 0 29.538 59.075 1.56245 59.8 2.9 2.8 5.8
38 0 2 4 29.739 59.477 1.55284 55.0 2.6 2.5 5.8
39 4 2 -1 29.884 59.767 1.54601 30.4 1.4 1.4 5.8
40 4 0 -4 30.178 60.356 1.53233 285.9 13.7 13.2 5.8
41 2 4 1 30.837 61.674 1.5027 38.9 1.9 1.8 5.8
42 1 3 -4 30.914 61.829 1.49931 265.6 12.7 12.2 5.8
43 3 1 2 31.399 62.798 1.47849 137.4 6.6 6.3 5.9
44 1 5 0 31.479 62.958 1.47511 76.6 3.7 3.5 5.9
45 1 1 4 31.894 63.788 1.45789 40.0 1.9 1.8 5.9
46 0 4 3 31.95 63.899 1.45562 49.9 2.4 2.3 5.9
47 4 2 0 32.218 64.436 1.44479 76.0 3.6 3.5 5.9
48 3 3 -4 32.447 64.895 1.43568 111.1 5.3 5.1 5.9
49 2 2 3 32.608 65.216 1.42939 29.3 1.4 1.3 5.9
50 4 2 -4 32.828 65.656 1.42088 73.5 3.5 3.4 5.9
51 1 5 -2 33.179 66.358 1.40753 111.8 5.3 5.1 5.9
52 5 1 -2 34.405 68.809 1.36325 35.7 1.7 1.6 5.9
53 2 4 2 34.791 69.583 1.34997 100.8 4.8 4.6 5.9
54 4 2 1 36.022 72.043 1.3098 36.5 1.7 1.6 5.9
55 1 5 2 36.169 72.337 1.3052 37.4 1.8 1.7 5.9
56 5 1 -4 36.325 72.65 1.30034 49.7 2.4 2.2 6.0
57 3 3 2 36.501 73.002 1.29495 37.1 1.8 1.7 6.0
58 4 2 -5 36.889 73.778 1.28323 24.3 1.2 1.1 6.0
59 1 3 4 36.962 73.925 1.28104 268.8 12.8 12.1 6.0
60 2 0 4 37.063 74.125 1.27808 137.2 6.5 6.2 6.0
61 0 6 0 37.511 75.022 1.265 67.2 3.2 3.0 6.0
62 3 5 -2 37.596 75.192 1.26257 168.4 8.0 7.6 6.0
63 3 1 -6 38.548 77.095 1.23608 24.4 1.2 1.1 6.0
64 3 5 0 38.892 77.784 1.22685 23.3 1.1 1.0 6.0
65 2 2 4 39.49 78.98 1.21123 27.7 1.3 1.2 6.0
66 5 1 -5 39.531 79.062 1.21018 23.1 1.1 1.0 6.0
67 1 1 -6 40.003 80.006 1.19827 67.8 3.2 3.0 6.0
68 2 2 -6 40.193 80.385 1.19357 71.4 3.4 3.2 6.0
69 2 4 -5 40.608 81.215 1.18345 30.9 1.5 1.4 6.1
70 2 6 0 41.065 82.13 1.17257 86.5 4.1 3.8 6.1
71 5 3 -4 41.167 82.333 1.17019 68.0 3.2 3.0 6.1
72 4 2 -6 42.266 84.533 1.14527 107.6 5.1 4.7 6.1
73 6 0 -4 42.642 85.284 1.13709 55.6 2.7 2.4 6.1
74 2 6 1 43.208 86.416 1.12507 24.0 1.1 1.0 6.1
75 5 3 0 43.421 86.841 1.12065 57.3 2.7 2.5 6.1
76 5 1 -6 44.139 88.277 1.10609 60.4 2.9 2.6 6.2
77 6 2 -2 44.59 89.181 1.09721 71.9 3.4 3.1 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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