[求助] 求助Sr2Si5N8的XRD標(biāo)準(zhǔn)卡片數(shù)據(jù)（JCPDS 01-085-0101或其他）已有1人參與

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1樓 2014-06-18 15:57:05

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愛論文: 金幣+5, ★★★★★最佳答案 2014-06-19 17:00:22

Name and formula

Reference code: 01-085-0101

Compound name: Strontium Silicon Nitride
Common name: Distrontium pentasilicon nitride

Empirical formula: N8Si5Sr2
Chemical formula: Sr2Si5N8

Crystallographic parameters

Crystal system: Orthorhombic
Space group: Pmn21
Space group number: 31

a (?):    5.7100
b (?):    6.8220
c (?):    9.3410
Alpha (°):    90.0000
Beta (°):    90.0000
Gamma (°):    90.0000

Calculated density (g/cm^3):    3.90
Volume of cell (10^6 pm^3): 363.87
Z:    2.00

RIR:    1.15

Subfiles and quality

Subfiles: Alloy, metal or intermetalic
ICSD Pattern
Inorganic
Quality: Calculated (C)

Comments

Creation Date: 1970-1-1
Modification Date: 1970-1-1
ICSD Collection Code: 401500
Temperature Factor: ATF. Nirido-silicate
II: Hochtemperatur-Synthesen und Kristallstrukturen von Sr2 Si5 N8 und Ba2 Si5 N8. b3 a9 (PMN21). A2B5X8.

References

Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Schlieper, T., Milius, W., Schnick, W., Z. Anorg. Allg. Chem., 621, 1380, (1995)

Peak list

No. h k l    d [A]    2Theta[deg] I [%]
  1 0 1 0    6.82200 12.967    26.2
  2 0 1 1    5.50918 16.075    0.9
  3 1 0 1    4.87187 18.195    0.9
  4 0 0 2    4.67050 18.986    18.5
  5 1 1 0    4.37864 20.265    17.6
  6 1 1 1    3.96467 22.407    4.7
  7 0 1 2    3.85386 23.060    0.7
  8 0 2 0    3.41100 26.103    4.7
  9 0 2 1    3.20406 27.822    60.8
10 1 1 2    3.19437 27.908    49.9
11 1 2 0    2.92830 30.503    71.9
12 2 0 0    2.85500 31.306    41.2
13 0 1 3    2.83258 31.560    79.5
14 1 2 1    2.79421 32.005    3.0
15 0 2 2    2.75459 32.478    1.4
16 1 0 3    2.73365 32.733    29.9
17 2 1 0    2.63367 34.013    21.3
18 1 1 3    2.53751 35.344    100.0
19 1 2 2    2.48098 36.177    77.9
20 2 0 2    2.43593 36.869    55.5
21 0 0 4    2.33525 38.520    5.6
22 0 2 3    2.29964 39.141    16.9
23 2 1 2    2.29407 39.240    13.9
24 0 3 0    2.27400 39.601    3.4
25 0 3 1    2.20939 40.809    3.7
26 2 2 0    2.18932 41.200    1.7
27 1 2 3    2.13156 42.370    8.8
28 1 3 0    2.11263 42.768    1.8
29 1 3 1    2.06059 43.903    5.1
30 0 3 2    2.04454 44.266    17.2
31 2 1 3    2.01082 45.049    9.4
32 2 2 2    1.98234 45.732    3.4
33 0 2 4    1.92487 47.179    3.6
34 3 0 1    1.86501 48.790    0.1
35 0 3 3    1.83639 49.602    6.1
36 3 1 0    1.83332 49.690    4.2
37 2 0 4    1.80759 50.447    1.1
38 0 1 5    1.80186 50.618    3.8
39 3 1 1    1.79900 50.705    2.7
40 2 2 3    1.79092 50.950    17.9
41 2 3 0    1.77873 51.324    11.0
42 1 0 5    1.77558 51.422    7.0
43 2 3 1    1.74733 52.315    10.3
44 1 1 5    1.71833 53.267    9.2
45 3 1 2    1.70550 53.700    11.6
46 0 4 1    1.67776 54.661    0.6
47 2 3 2    1.66209 55.220    10.6
48 0 2 5    1.63854 56.083    6.8
49 1 4 0    1.63416 56.247    4.3
50 0 3 4    1.62918 56.434    3.9
51 3 0 3    1.62396 56.632    6.0
52 1 4 1    1.60971 57.179    2.3
53 0 4 2    1.60203 57.479    3.3
54 2 2 4    1.59718 57.670    3.9
55 3 1 3    1.57981 58.365    11.8
56 1 2 5    1.57497 58.561    6.9
57 1 3 4    1.56589 58.934    17.0
58 0 0 6    1.55683 59.311    6.6
59 2 3 3    1.54448 59.834    6.2
60 1 4 2    1.54247 59.920    4.5
61 2 1 5    1.52376 60.733    19.9
62 0 4 3    1.49581 61.991    0.1
63 1 1 6    1.46687 63.354    2.7
64 2 4 0    1.46415 63.486    5.9
65 3 3 0    1.45955 63.709    3.0
66 1 4 3    1.44698 64.329    8.8
67 0 3 5    1.44352 64.502    9.4
68 4 0 0    1.42750 65.315    12.1
69 2 2 5    1.42112 65.645    1.9
70 2 3 4    1.41501 65.964    0.4
71 1 3 5    1.39949 66.791    4.8
72 4 1 0    1.39711 66.920    12.0
73 3 3 2    1.39311 67.137    6.6
74 4 1 1    1.38186 67.757    0.1
75 0 4 4    1.37729 68.013    0.4
76 1 2 6    1.37464 68.162    1.7
77 4 0 2    1.36516 68.701    1.0
78 3 2 4    1.35412 69.341    0.1
79 0 5 1    1.35007 69.579    0.1
80 2 1 6    1.34019 70.167    9.5
81 3 0 5    1.33326 70.586    0.8
82 1 5 0    1.32704 70.966    3.4
83 2 4 3    1.32497 71.094    5.9
84 3 3 3    1.32156 71.306    4.4
85 1 5 1    1.31385 71.789    1.2
86 0 1 7    1.30851 72.127    3.4
87 4 2 1    1.30394 72.420    4.4
88 2 3 5    1.28822 73.447    9.9
89 0 3 6    1.28462 73.687    5.4
90 1 5 2    1.27647 74.236    4.1
91 4 1 3    1.27477 74.352    7.2
92 4 2 2    1.26742 74.857    0.3
93 0 4 5    1.25859 75.473    1.0
94 1 3 6    1.25329 75.849    1.9
95 0 5 3    1.24968 76.107    4.2
96 0 2 7    1.24272 76.610    0.7
97 2 4 4    1.24049 76.773    0.5
98 3 3 4    1.23769 76.979    1.3
99 1 4 5    1.23000 77.549    2.5
100 3 4 2    1.22566 77.876    1.4
101 1 5 3    1.22079 78.246    4.8
102 4 0 4    1.21797 78.462    3.4
103 1 2 7    1.21429 78.745    0.8
104 4 2 3    1.21283 78.859    1.6
105 4 3 0    1.20902 79.156    0.9
106 4 3 1    1.19901 79.949    0.6
107 2 5 2    1.19039 80.646    1.0
108 3 1 6    1.18669 80.950    1.1
109 3 4 3    1.17608 81.835    2.3
110 2 3 6    1.17149 82.225    3.5
111 4 3 2    1.17044 82.315    4.0
112 0 0 8    1.16762 82.557    2.3
113 1 5 4    1.15376 83.771    0.4
114 3 3 5    1.15015 84.094    3.0
115 4 2 4    1.14704 84.374    1.6
116 2 5 3    1.14482 84.576    0.8
117 2 2 7    1.13945 85.068    0.1
118 0 6 0    1.13624 85.365    0.7
119 5 0 1    1.13356 85.616    0.4
120 1 3 7    1.12820 86.121    2.1
121 4 3 3    1.12704 86.231    1.9
122 4 1 5    1.11891 87.013    0.8
123 3 4 4    1.11511 87.384    2.4
124 3 5 0    1.10891 87.998    1.4
125 1 6 1    1.10725 88.164    0.4
126 0 6 2    1.10474 88.416    0.5
127 0 5 5    1.10118 88.777    0.5
128 5 1 2    1.09466 89.447    3.1
129 3 0 7    1.09264 89.657    1.6

贊一下

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