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科研小记 | XRD标准卡片 PDF#04-005-7201和PDF#04-007-7986
PDF#04-005-7201(RDB):质标=定胞(I);d=计算值;I=计算值
Diamond, syn(Carbon)
C
射线=CuKa1 波长=1.5406 滤波法=
校准= 2θ=43.944-140.643 I/Ic(K值)=1.1
文献: Uspenskaya S.I., Kolchemanov N.A., Eliseev A.A., Krynkina S.V.
Russ. J. Inorg. Chem. (Engl. Transl.), v24 p3(1979)
立方晶系-粉末衍射,Fd-3m(227) Z=8
晶胞: 3.5659×3.5659×3.5659 <90.0×90.0x90.0> P.S=cF8.00
密度(计算)=3.519 密度(测量)= 分子量=12.01 体积=45.34 F(6)=999.9(0.0003,6/0)
文献: 出处同上
强峰线: 2.06/X 1.26/3 1.08/1 0.82/1
LPF Collection Code: 546294.
Sample Preparation: STARTING MATERIALS:C.
Compound Preparation: crystals grown in the presence of Ni.
Minor Warning: No e.s.d reported/abstracted on the cell dimension.
No R factor reported/abstracted.
Unit Cell Data Source: Powder Diffraction.
标记(1) 位置 占有率 x y z Biso
C 8a 1 0 0 0 0.0
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
43.944 2.0588 100.0 ( 1 1 1) 21.972 0.2429 3.0519 3
75.322 1.2607 26.7 ( 2 2 0) 37.661 0.3966 4.9837 8
91.524 1.0752 13.2 ( 3 1 1) 45.762 0.4650 5.8440 11
96.887 1.0294 0.1 ( 2 2 2) 48.444 0.4857 6.1038 12
119.553 0.8915 3.9 ( 4 0 0) 59.776 0.5609 7.0481 16
140.643 0.8181 6.9 ( 3 3 1) 70.321 0.6112 7.6805 19
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PDF#04-007-7986(RDB):质标=定胞(I);d=计算值;I=计算值
Cobalt
Co
射线=CuKa1 波长=1.5406 滤波法=
校准= 2θ=44.221-142.606 I/Ic(K值)=7.29
文献: Nuding M., Ellner M.
J. Alloys Compds., v252 p184(1997)
立方晶系-粉末衍射,Fm-3m(225) Z=4
晶胞: 3.5447×3.5447×3.5447 <90.0×90.0x90.0> P.S=cF4.00(á)
密度(计算)=8.789 密度(测量)= 分子量=58.93 体积=44.54 F(7)=999.9(0.0001,7/0)
文献: 出处同上
强峰线: 2.05/X 1.77/4 1.25/2 1.07/2 0.81/1
LPF Collection Code: 1407709.
Sample Preparation: STARTING MATERIALS:Co.
Compound Preparation: arc-melted in alumincrucible.
CRUCIBLE: sealed evacuated silica tube.
ATMOSPHERE: argon.
Sample annealed at 1273 K for 1 d.
Minor Warning: No R factor reported/abstracted.
Unit Cell Data Source: Powder Diffraction.
标记(1) 位置 占有率 x y z Biso
Co 4a 1 0 0 0 0.0
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
44.221 2.0465 100.0 ( 1 1 1) 22.110 0.2443 3.0702 3
51.522 1.7724 42.1 ( 2 0 0) 25.761 0.2821 3.5451 4
75.852 1.2532 16.8 ( 2 2 0) 37.926 0.3990 5.0136 8
92.230 1.0688 15.5 ( 3 1 1) 46.115 0.4678 5.8789 11
97.663 1.0233 4.3 ( 2 2 2) 48.832 0.4886 6.1403 12
120.740 0.8862 1.9 ( 4 0 0) 60.370 0.5642 7.0902 16
142.606 0.8132 6.4 ( 3 3 1) 71.303 0.6148 7.7264 19
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