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白鸥123456

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[求助] Ni5P4 JCPDS 65-3544 这个pdf卡片的txt文档

RT

求助Ni5P4 JCPDS 65-3544这个这个pdf卡片的txt文档

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1楼2021-07-30 20:46:01

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2楼2021-07-31 16:15:34

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Name and formula

Reference code: 03-065-3544

Compound name: Nickel Phosphide

Empirical formula: Ni2P
Chemical formula: Ni2P

Crystallographic parameters

Crystal system: Hexagonal
Space group: P321
Space group number: 150

a (?):    5.8620
b (?):    5.8620
c (?):    3.3720
Alpha (°):    90.0000
Beta (°):    90.0000
Gamma (°): 120.0000

Calculated density (g/cm^3):    7.36
Measured density (g/cm^3):    7.20
Volume of cell (10^6 pm^3): 100.35
Z:    3.00

RIR:    4.12

Subfiles and Quality

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

Comments

Creation Date: 1/1/1970
Modification Date: 1/1/1970
N AL5590    6168. Temperature Factor: IB=Ni,P.

References

Primary reference: Calculated from NIST using POWD-12++
Structure: H.Nowotny, Z. Phys. Chem. (B), B40, 281, (1938)

Peak list

No. h k l    d [A]    2Theta[deg] I [%]
  1 1 0 0    5.07664 17.455    2.2
  2 0 0 1    3.37200 26.411    0.2
  3 1 1 0    2.93100 30.474    3.8
  4 0 1 1    2.80884 31.834    9.1
  5 2 0 0    2.53832 35.332    1.7
  6 1 1 1    2.21213 40.757    100.0
  7 0 2 1    2.02796 44.648    52.1
  8 2 1 0    1.91879 47.338    36.2
  9 3 0 0    1.69221 54.156    21.8
10 0 0 2    1.68600 54.372    16.9
11 2 1 1    1.66769 55.019    12.9
12 0 1 2    1.60007 57.556    2.5
13 3 0 1    1.51245 61.235    0.1
14 2 2 0    1.46550 63.420    0.6
15 1 1 2    1.46146 63.616    3.7
16 3 1 0    1.40801 66.334    4.9
17 2 0 2    1.40442 66.526    4.7
18 2 2 1    1.34405 69.936    2.5
19 3 1 1    1.29929 72.721    7.1
20 4 0 0    1.26916 74.737    2.0
21 2 1 2    1.26653 74.919    12.4
22 0 3 2    1.19437 80.323    5.2
23 0 4 1    1.18781 80.858    2.7
24 3 2 0    1.16466 82.813    1.6
25 0 0 3    1.12400 86.522    0.1
26 4 1 0    1.10781 88.108    1.1
27 2 2 2    1.10606 88.284    0.7
28 3 2 1    1.10085 88.811    10.7
29 0 1 3    1.09742 89.162    5.7
30 3 1 2    1.08071 90.922    3.5
31 1 4 1    1.05247 94.091    1.1
32 1 1 3    1.04948 94.443    4.7
33 0 2 3    1.02775 97.094    1.7
34 5 0 0    1.01533 98.694    1.2
35 0 4 2    1.01398 98.872    2.1
36 3 3 0    0.97700 104.079    0.9
37 0 5 1    0.97221 104.805    2.5
38 2 1 3    0.96985 105.168    1.8
39 4 2 0    0.95939 106.816    2.0
40 2 3 2    0.95826 107.000    2.4
41 3 3 1    0.93840 110.342    0.1
42 3 0 3    0.93628 110.717    0.6
43 1 4 2    0.92584 112.610    0.2
44 2 4 1    0.92277 113.183    1.2
45 5 1 0    0.91179 115.305    1.2
46 2 2 3    0.89188 119.465    1.2
47 5 1 1    0.88018 122.128    2.4
48 3 1 3    0.87843 122.543    2.6
49 5 0 2    0.86979 124.656    2.1
50 3 3 2    0.84533 131.356    0.9
51 0 0 4    0.84300 132.061    0.9
52 0 4 3    0.84145 132.538    1.3
53 2 4 2    0.83385 134.974    2.3
54 0 1 4    0.83161 135.722    1.4
55 0 6 1    0.82067 139.645    0.1
56 5 2 0    0.81291 142.732    1.3
57 1 1 4    0.81016 143.906    1.8
58 3 2 3    0.80878 144.509    2.9
59 5 1 2    0.80202 147.664    1.7
60 2 0 4    0.80003 148.661    1.3

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3楼2021-07-31 20:06:42

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