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科研小记 | XRD标准卡片 PDF#01-087-0712和PDF# 00-041-0773
PDF#01-087-0712(RDB):质标=定胞(I);d=计算值;I=计算值
Nickel, syn
Ni
射线=CuKa1 波长=1.5406 滤波法=
校准= 2θ=44.497-144.670 I/Ic(K值)=7.44
文献: Swanson, H.E., Tatge, E.
Natl. Bur. Stand. (U.S.), Circ. 539, v359 pI1(1953)
立方晶系-单晶衍射,Fm-3m(225) Z=4
晶胞: 3.5238×3.5238×3.5238 <90.0×90.0x90.0> P.S=cF4.00
密度(计算)=8.911 密度(测量)= 分子量=58.7 体积=43.76 F(7)=999.9(0.0003,7/0)
文献: 出处同上
强峰线: 2.03/X 1.76/4 1.25/2 1.06/1 0.81/1
ANX: N.
Analysis: Ni1.
Formula from original source: Ni.
ICSD Collection Code: 64989.
Calculated Pattern Original Remarks: Cell from 2nd reference: 3.5238(3) at 298 K, m.p.
1726 K.
Cell from 3rd ref.
(Silcock & Heal): 3.5253 at 290 K, at 769 K: 3.5461, at 1160 K: 3.5762.
Minor Warning: No e.s.d reported/abstracted on the cell dimension.
No R factors reported/abstracted.
Wyckoff Sequence: a(FM3-M).
Unit Cell Data Source: Single Crystal.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
44.497 2.0345 100.0 ( 1 1 1) 22.248 0.2458 3.0884 3
51.850 1.7619 42.0 ( 2 0 0) 25.925 0.2838 3.5661 4
76.383 1.2459 16.1 ( 2 2 0) 38.191 0.4013 5.0433 8
92.938 1.0625 14.4 ( 3 1 1) 46.469 0.4706 5.9138 11
98.444 1.0172 3.9 ( 2 2 2) 49.222 0.4915 6.1768 12
121.946 0.8810 1.7 ( 4 0 0) 60.973 0.5676 7.1323 16
144.670 0.8084 5.3 ( 3 3 1) 72.335 0.6185 7.7722 19
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PDF#00-041-0773(RDB):质标=可疑(O);d=衍射仪;I=(未知)
Boron Lithium
B6 Li7
射线=CuKa 波长=1.5418 滤波法=
校准= 2θ=25.679-99.444 I/Ic(K值)=
文献: Dallek, S., Ernst, D., Larrick, B.
J. Electrochem. Soc., v126 p866(1979)
(未知)-(未知) Z=
P.S=
密度(计算)= 密度(测量)= 分子量=113.45 体积=0.00
文献: 出处同上
强峰线: 3.47/X 2.01/7 2.21/2 1.49/1 1.20/1 1.17/1 1.01/1 1.74/1
Reason O Quality Was Assigned: O assigned because unindexed.
Sample Preparation: Prepared by heating the elements in stainless steel crucible at about 450 C until the boron was completely reacted.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
25.679 3.4663 100.0 12.840 0.1442 1.8127
40.767 2.2116 23.0 20.383 0.2261 2.8410
45.063 2.0102 66.0 22.531 0.2487 3.1256
52.556 1.7399 5.0 26.278 0.2874 3.6112
62.196 1.4914 5.0 31.098 0.3353 4.2130
79.824 1.2006 5.0 39.912 0.4165 5.2335
82.671 1.1663 5.0 41.335 0.4287 5.3873
99.444 1.0097 5.0 49.722 0.4952 6.2230
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