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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STEININGERITE
1
(Ba,K)(2)(Zr,Ti,Nb)(2)[Si(4)O(12)]O(2)
Tetragonal P 4/mbm Z = 2
R =0.031 NR =444
4 .3 .25
Ref.Str.:
Juroszek R., Kruger B., Kolitsch U., Frenz G., Blash G. (2024)
* Mineral. Mag., 1-27 doi:10.1180/mgm.2024.102
L: $Ba1.36 K0.56 Na0.09 Sr0.05 Ca0.02 Zr1.52 Ti0.25 Nb0.13
U0.05 Fe0.02 Hf0.01 Si4.0 Al0.03 O13.59 F0.41$
R: IMA2024-016. Locality - Lohley, Udersdorf, Daun, Vulkaneifel,
Rhineland-Palatinate, Germany. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.894 alpha = 90.0
b = 8.894 beta = 90.0
c = 8.051 gamma = 90.0
Unit cell volume (cub. angs.) = 636.86
Molar volume ( cub.cm/mol.) = 191.8
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.682 0.182 0.0 0.0 Ba = 0.65, K = 0.28, Na = 0.07
2 0.0 0.0 0.2568 0.0 Zr = 0.72, Ti = 0.12, Nb = 0.07, U = 0.03
3 0.377 0.123 0.6981 0.0 Si = 1.00
4 0.0 0.0 0.0 0.0 O = 1.00
5 0.0 0.0 0.5 0.0 O = 1.00
6 0.5 0.0 0.2341 0.0 O = 1.00
7 0.2189 0.0747 0.2241 0.0 O = 1.00
8 0.377 0.123 0.5 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.682 0.182 0.0
2 2 0.0 0.0 0.2568
3 3 0.377 0.123 0.6981
4 4 0.0 0.0 0.0
5 5 0.0 0.0 0.5
6 6 0.5 0.0 0.2341
7 7 0.2189 0.0747 0.2241
8 8 0.377 0.123 0.5
9 1 0.818 0.682 0.0
10 1 0.318 0.818 0.0
11 1 0.182 0.318 0.0
12 3 0.877 0.377 0.6981
13 3 0.623 0.877 0.6981
14 3 0.123 0.623 0.6981
15 6 0.0 0.5 0.2341
16 7 0.9253 0.2189 0.2241
17 7 0.7811 0.9253 0.2241
18 7 0.0747 0.7811 0.2241
19 8 0.877 0.377 0.5
20 8 0.623 0.877 0.5
21 8 0.123 0.623 0.5
22 2 0.5 0.5 0.2568
23 4 0.5 0.5 0.0
24 5 0.5 0.5 0.5
25 7 0.2811 0.5747 0.2241
26 7 0.5747 0.7189 0.2241
27 7 0.7189 0.4253 0.2241
28 7 0.4253 0.2811 0.2241
29 2 0.0 0.0 0.7432
30 3 0.377 0.123 0.3019
31 6 0.5 0.0 0.7659
32 7 0.2189 0.0747 0.7759
33 3 0.877 0.377 0.3019
34 3 0.623 0.877 0.3019
35 3 0.123 0.623 0.3019
36 6 0.0 0.5 0.7659
37 7 0.9253 0.2189 0.7759
38 7 0.7811 0.9253 0.7759
39 7 0.0747 0.7811 0.7759
40 2 0.5 0.5 0.7432
41 7 0.2811 0.5747 0.7759
42 7 0.5747 0.7189 0.7759
43 7 0.7189 0.4253 0.7759
44 7 0.4253 0.2811 0.7759
X-ray density (g/cm cub.) = 3.7
MU (1/cm) = 749.982 Mass attenuation coefficient (cm**2/g) = 202.591
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba ,K ,Na 3.288 12
3.2587 4
2.9654 6
2.8363 7
3.0406 7
3.2587 4
2.8363 7
3.0406 7
2.9654 6
2.8363 7
3.0406 7
2.8363 7
3.0406 7
2 Zr ,Ti ,Nb ,U 2.88 6
2.0677 4
1.9578 5
2.0739 7
2.0739 7
2.0739 7
2.0739 7
3 Si 2.1 4
1.5949 8
1.6407 6
1.5981 7
1.5981 7
4 O 3.264 8
2.7362 7
2.7362 7
2.7362 7
2.7362 7
2.7362 7
2.7362 7
2.7362 7
2.7362 7
5 O 3.264 8
3.0275 7
3.0275 7
3.0275 7
3.0275 7
3.0275 7
3.0275 7
3.0275 7
3.0275 7
6 O 3.264 6
2.5881 7
2.6413 8
2.5881 7
2.6413 8
2.5881 7
2.5881 7
7 O 3.264 7
2.7362 4
3.0275 5
2.5881 6
2.6638 8
2.9092 7
2.9092 7
2.5961 7
8 O 3.264 7
2.6413 6
2.6638 7
3.0942 8
2.6638 7
2.6413 6
2.6638 7
2.6638 7
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 0 0 1 6.379 12.757 0.062 159.07 2 114.7 1032.7
2 1 1 0 8.177 16.353 0.08 95.93 4 65.0 400.3
3 1 1 1 10.397 20.795 0.101 58.49 8 1.1 0.2
4 2 0 0 11.604 23.207 0.112 46.55 4 73.5 248.1
5 0 0 2 12.838 25.676 0.124 37.65 2 129.4 311.0
6 2 1 0 12.996 25.992 0.126 36.69 8 14.6 15.4
7 2 0 1 13.284 26.568 0.128 35.03 8 104.7 757.0
8 2 1 1 14.526 29.053 0.14 28.97 16 133.1 2024.7
9 1 1 2 15.297 30.594 0.147 25.93 8 93.5 447.4
10 2 2 0 16.526 33.052 0.159 21.95 4 180.2 702.7
11 2 0 2 17.44 34.881 0.168 19.52 8 198.6 1518.5
12 2 2 1 17.781 35.562 0.171 18.71 8 48.8 87.9
13 2 1 2 18.429 36.859 0.177 17.3 16 151.5 1566.1
14 3 1 0 18.544 37.087 0.178 17.06 8 203.9 1400.0
15 0 0 3 19.469 38.938 0.186 15.32 2 143.4 155.4
16 3 1 1 19.687 39.373 0.188 14.95 16 19.4 22.3
17 2 2 2 21.159 42.317 0.202 12.73 8 11.3 3.2
18 1 1 3 21.246 42.492 0.203 12.61 8 29.9 22.3
19 3 2 0 21.26 42.521 0.203 12.59 8 54.7 74.2
20 3 2 1 22.287 44.574 0.212 11.33 16 12.8 7.3
21 3 1 2 22.828 45.655 0.217 10.73 16 19.0 15.3
22 2 0 3 22.91 45.82 0.218 10.64 8 69.5 101.3
23 2 1 3 23.707 47.415 0.225 9.85 16 72.1 202.1
24 4 0 0 23.721 47.441 0.225 9.84 4 58.5 33.2
25 4 1 0 24.498 48.995 0.232 9.14 8 169.1 515.5
26 4 0 1 24.666 49.333 0.233 9.0 8 26.1 12.1
27 3 2 2 25.168 50.336 0.238 8.6 16 39.4 52.6
28 3 3 0 25.257 50.514 0.239 8.53 4 55.5 25.9
29 4 1 1 25.422 50.844 0.24 8.4 16 119.8 475.8
30 2 2 3 25.988 51.975 0.245 7.99 8 82.0 106.1
31 3 3 1 26.162 52.323 0.246 7.87 8 102.4 162.8
32 0 0 4 26.385 52.77 0.248 7.72 2 367.4 513.9
33 4 2 0 26.728 53.456 0.251 7.5 8 181.8 488.7
34 4 0 2 27.359 54.718 0.257 7.11 8 100.7 142.2
35 3 1 3 27.431 54.862 0.258 7.07 16 95.1 252.0
36 4 2 1 27.599 55.197 0.259 6.97 16 13.5 5.0
37 1 1 4 27.814 55.628 0.261 6.85 8 76.7 79.5
38 4 1 2 28.063 56.125 0.263 6.71 16 64.2 109.0
39 3 3 2 28.755 57.51 0.269 6.35 8 156.1 305.4
40 2 0 4 29.196 58.392 0.273 6.14 8 50.3 30.7
41 3 2 3 29.506 59.012 0.275 5.99 16 71.5 120.8
42 2 1 4 29.871 59.743 0.278 5.83 16 39.2 35.4
43 4 2 2 30.109 60.219 0.28 5.73 16 114.1 294.4
44 4 3 0 30.188 60.377 0.281 5.69 8 33.6 12.7
45 5 1 0 30.851 61.701 0.287 5.42 8 127.3 173.4
46 4 3 1 30.996 61.991 0.288 5.37 16 34.9 25.9
47 4 0 3 31.494 62.988 0.292 5.18 8 52.6 28.3
48 5 1 1 31.648 63.296 0.293 5.13 16 63.6 82.0
49 2 2 4 31.846 63.692 0.295 5.06 8 152.5 232.2
50 4 1 3 32.141 64.282 0.297 4.96 16 85.6 143.4
51 3 3 3 32.781 65.561 0.303 4.75 8 102.1 97.8
52 5 2 0 32.791 65.583 0.303 4.75 8 2.2 0.0
53 3 1 4 33.125 66.25 0.305 4.65 16 148.9 406.6
54 4 3 2 33.35 66.7 0.307 4.58 16 30.3 16.6
55 5 2 1 33.563 67.127 0.309 4.52 16 70.8 89.4
56 0 0 5 33.745 67.49 0.311 4.47 2 64.7 9.2
57 5 1 2 33.978 67.956 0.312 4.4 16 143.6 358.4
58 4 2 3 34.042 68.083 0.313 4.39 16 6.9 0.8
59 4 4 0 34.674 69.348 0.318 4.22 4 197.0 161.7
60 1 1 5 34.989 69.977 0.321 4.15 8 1.2 0.0
61 3 2 4 34.999 69.998 0.321 4.15 16 22.0 7.9
62 4 4 1 35.426 70.852 0.324 4.05 8 38.1 11.6
63 5 2 2 35.831 71.661 0.327 3.96 16 62.8 61.5
64 5 3 0 35.903 71.806 0.328 3.94 8 161.1 201.7
65 2 0 5 36.213 72.426 0.33 3.87 8 94.5 68.2
66 5 3 1 36.644 73.288 0.334 3.79 16 103.0 158.5
67 2 1 5 36.819 73.638 0.335 3.75 16 115.5 197.6
68 4 0 4 36.829 73.658 0.335 3.75 8 85.6 54.2
69 4 3 3 37.105 74.21 0.337 3.7 16 28.0 11.4
70 6 0 0 37.115 74.23 0.337 3.7 4 170.4 105.9
71 4 1 4 37.431 74.862 0.34 3.64 16 127.3 232.8
72 4 4 2 37.644 75.288 0.341 3.6 8 115.3 94.6
73 5 1 3 37.705 75.411 0.342 3.59 16 9.4 1.3
74 6 1 0 37.715 75.43 0.342 3.59 8 109.9 85.6
75 6 0 1 37.847 75.694 0.343 3.57 8 83.9 49.5
76 3 3 4 38.03 76.059 0.344 3.54 8 22.9 3.7
77 6 1 1 38.444 76.887 0.348 3.47 16 30.1 12.5
78 2 2 5 38.615 77.231 0.349 3.45 8 10.5 0.8
79 5 3 2 38.836 77.673 0.351 3.41 16 24.8 8.3
80 4 2 4 39.218 78.436 0.353 3.36 16 142.3 268.3
81 5 2 3 39.488 78.977 0.355 3.32 16 15.9 3.3
82 6 2 0 39.498 78.996 0.356 3.32 8 79.6 41.5
83 3 1 5 39.799 79.597 0.358 3.28 16 29.7 11.4
84 6 0 2 40.018 80.035 0.359 3.25 8 33.4 7.1
85 5 4 0 40.087 80.175 0.36 3.24 8 30.1 5.8
86 6 2 1 40.217 80.434 0.361 3.23 16 57.4 42.0
87 6 1 2 40.605 81.21 0.364 3.18 16 25.3 8.0
88 5 4 1 40.804 81.607 0.365 3.16 16 49.8 30.9
89 4 4 3 41.25 82.5 0.369 3.11 8 51.6 16.3
90 3 2 5 41.557 83.115 0.371 3.08 16 51.1 31.7
91 0 0 6 41.805 83.61 0.373 3.06 2 24.4 0.9
92 4 3 4 42.15 84.3 0.375 3.02 16 30.1 10.8
93 6 2 2 42.357 84.714 0.377 3.01 16 161.7 309.9
94 5 3 3 42.416 84.833 0.377 3.0 16 73.6 64.2
95 6 3 0 42.426 84.852 0.377 3.0 8 67.0 26.6
96 5 1 4 42.732 85.464 0.379 2.98 16 81.0 77.1
97 5 4 2 42.938 85.877 0.381 2.96 16 78.0 71.0
98 1 1 6 42.969 85.938 0.381 2.96 8 103.7 62.7
99 6 3 1 43.135 86.271 0.382 2.94 16 34.2 13.6
100 4 0 5 43.303 86.606 0.383 2.93 8 51.9 15.6
101 6 0 3 43.578 87.156 0.385 2.91 8 105.7 64.2
102 4 1 5 43.883 87.767 0.387 2.89 16 111.5 141.9
103 2 0 6 44.129 88.259 0.389 2.88 8 144.3 118.1
104 6 1 3 44.158 88.316 0.389 2.87 16 74.2 62.5
105 3 3 5 44.463 88.926 0.392 2.86 8 87.8 43.5
106 5 2 4 44.473 88.945 0.392 2.86 16 25.9 7.6
107 2 1 6 44.709 89.418 0.393 2.84 16 53.7 32.3
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 0 0 1 6.379 12.757 8.051 1032.7 51.0 51.6 5.6
2 1 1 0 8.177 16.353 6.28901 400.3 19.8 20.0 5.6
3 2 0 0 11.604 23.207 4.447 248.1 12.3 12.3 5.6
4 0 0 2 12.838 25.676 4.0255 311.0 15.4 15.4 5.6
5 2 0 1 13.284 26.568 3.89266 757.0 37.4 37.5 5.6
6 2 1 1 14.526 29.053 3.56606 2024.7 100.0 100.0 5.6
7 1 1 2 15.297 30.594 3.39043 447.4 22.1 22.1 5.6
8 2 2 0 16.526 33.052 3.1445 702.7 34.7 34.6 5.6
9 2 0 2 17.44 34.881 2.98438 1518.5 75.0 74.6 5.7
10 2 2 1 17.781 35.562 2.92902 87.9 4.3 4.3 5.7
11 2 1 2 18.429 36.859 2.82934 1566.1 77.4 76.8 5.7
12 3 1 0 18.544 37.087 2.81253 1400.0 69.1 68.7 5.7
13 0 0 3 19.469 38.938 2.68367 155.4 7.7 7.6 5.7
14 3 1 1 19.687 39.373 2.65518 22.3 1.1 1.1 5.7
15 3 2 0 21.26 42.521 2.46675 96.5 4.8 4.7 5.7
16 2 0 3 22.91 45.82 2.29769 101.3 5.0 4.9 5.7
17 2 1 3 23.707 47.415 2.22465 235.3 11.6 11.4 5.7
18 4 1 0 24.498 48.995 2.15711 515.5 25.5 25.0 5.7
19 3 2 2 25.168 50.336 2.10327 52.6 2.6 2.5 5.8
20 3 3 0 25.257 50.514 2.09634 25.9 1.3 1.3 5.8
21 4 1 1 25.422 50.844 2.08362 475.8 23.5 23.0 5.8
22 2 2 3 25.988 51.975 2.04131 106.1 5.2 5.1 5.8
23 3 3 1 26.162 52.323 2.02869 162.8 8.0 7.9 5.8
24 0 0 4 26.385 52.77 2.01275 513.9 25.4 24.8 5.8
25 4 2 0 26.728 53.456 1.98876 488.7 24.1 23.5 5.8
26 4 0 2 27.359 54.718 1.94633 142.2 7.0 6.8 5.8
27 3 1 3 27.431 54.862 1.9416 252.0 12.4 12.1 5.8
28 1 1 4 27.814 55.628 1.91697 79.5 3.9 3.8 5.8
29 4 1 2 28.063 56.125 1.90133 109.0 5.4 5.2 5.8
30 3 3 2 28.755 57.51 1.85932 305.4 15.1 14.6 5.8
31 2 0 4 29.196 58.392 1.83368 30.7 1.5 1.5 5.8
32 3 2 3 29.506 59.012 1.81611 120.8 6.0 5.8 5.8
33 2 1 4 29.871 59.743 1.7959 35.4 1.7 1.7 5.8
34 4 2 2 30.109 60.219 1.78303 294.4 14.5 14.0 5.8
35 5 1 0 30.851 61.701 1.74426 173.4 8.6 8.3 5.8
36 4 3 1 30.996 61.991 1.73691 25.9 1.3 1.2 5.8
37 4 0 3 31.494 62.988 1.71218 28.3 1.4 1.3 5.9
38 5 1 1 31.648 63.296 1.70471 82.0 4.0 3.9 5.9
39 2 2 4 31.846 63.692 1.69522 232.2 11.5 11.0 5.9
40 4 1 3 32.141 64.282 1.68131 143.4 7.1 6.8 5.9
41 3 3 3 32.781 65.561 1.65205 97.8 4.8 4.6 5.9
42 3 1 4 33.125 66.25 1.6368 406.6 20.1 19.2 5.9
43 5 2 1 33.563 67.127 1.61788 89.4 4.4 4.2 5.9
44 5 1 2 33.978 67.956 1.60047 358.4 17.7 16.9 5.9
45 4 4 0 34.674 69.348 1.57225 161.7 8.0 7.6 5.9
46 5 2 2 35.831 71.661 1.52797 61.5 3.0 2.9 5.9
47 5 3 0 35.903 71.806 1.52531 201.7 10.0 9.4 5.9
48 2 0 5 36.213 72.426 1.51401 68.2 3.4 3.2 5.9
49 5 3 1 36.644 73.288 1.49865 158.5 7.8 7.4 6.0
50 2 1 5 36.819 73.638 1.49254 251.8 12.4 11.7 6.0
51 6 0 0 37.115 74.23 1.48233 117.4 5.8 5.5 6.0
52 4 1 4 37.431 74.862 1.47162 232.8 11.5 10.8 6.0
53 4 4 2 37.644 75.288 1.46451 94.6 4.7 4.4 6.0
54 6 1 0 37.715 75.43 1.46216 86.8 4.3 4.0 6.0
55 6 0 1 37.847 75.694 1.45783 49.5 2.4 2.3 6.0
56 4 2 4 39.218 78.436 1.41467 268.3 13.2 12.4 6.0
57 6 2 0 39.498 78.996 1.40626 44.8 2.2 2.1 6.0
58 6 2 1 40.217 80.434 1.38529 42.0 2.1 1.9 6.0
59 5 4 1 40.804 81.607 1.36879 30.9 1.5 1.4 6.1
60 3 2 5 41.557 83.115 1.34836 31.7 1.6 1.4 6.1
61 6 2 2 42.357 84.714 1.32759 309.9 15.3 14.1 6.1
62 5 3 3 42.416 84.833 1.32608 90.7 4.5 4.1 6.1
63 5 1 4 42.732 85.464 1.31816 77.1 3.8 3.5 6.1
64 5 4 2 42.938 85.877 1.31304 133.8 6.6 6.1 6.1
65 6 0 3 43.578 87.156 1.29755 64.2 3.2 2.9 6.2
66 4 1 5 43.883 87.767 1.29035 141.9 7.0 6.4 6.2
67 2 0 6 44.129 88.259 1.28463 180.6 8.9 8.1 6.2
68 3 3 5 44.463 88.926 1.27698 51.0 2.5 2.3 6.2
69 2 1 6 44.709 89.418 1.27143 32.3 1.6 1.5 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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