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dog432銀蟲 (著名寫手)
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[求助]
求疊氮化銅的晶體結構
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| 如題,分子式:Cu(N3)2,CCDC里好像沒有,有哪位高人幫助一下,謝謝 |
有用的資源-huashuhuai |

木蟲之王 (文學泰斗)
至尊山羊
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*data for ICSD #28171 Coll Code 28171 Rec Date 1980/01/01 Chem Name Copper Azide Structured Cu (N3)2 Sum Cu1 N6 ANX AX6 D(calc) 2.6 Title Note on the Crystal Structure of Cu (N3)2 Author(s) Agrell, I.;Lamnevik, S. Reference Acta Chemica Scandinavica (1-27,1973-42,1988) (1968), 22, 2038-2040 Acta Chemica Scandinavica (1-27,1973-42,1988) (1967), 21, 2647-2658 Acta Crystallographica B (24,1968-38,1982) (1968), 24, 450-453 Unit Cell 13.468(2) 3.082(1) 9.080(2) 90. 90. 90. Vol 376.9 Z 4 Space Group P n m a SG Number 62 Cryst Sys orthorhombic Pearson oP28 Wyckoff c7 R Value 0.055 Red Cell P 3.082 9.08 13.468 90 89.999 89.999 376.896 Trans Red 0.000 1.000 0.000 / 0.000 0.000 -1.000 / -1.000 0.000 0.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-074-2130 New refinement based on previously measured intensities Temperature factors available X-ray diffraction from single crystal Atom # OX SITE x y z SOF H Cu 1 +2 4 c 0.6033(1) 0.75 0.4197(1) 1. 0 N 1 -0.33 4 c 0.8120(7) 0.25 0.6679(12) 1. 0 N 2 -0.33 4 c 0.7466(5) 0.25 0.5894(9) 1. 0 N 3 -0.33 4 c 0.6780(5) 0.25 0.5025(8) 1. 0 N 4 -0.33 4 c 0.5221(4) 0.25 0.3473(7) 1. 0 N 5 -0.33 4 c 0.4696(6) 0.25 0.2398(9) 1. 0 N 6 -0.33 4 c 0.4188(14) 0.25 0.1458(20) 1. 0 Lbl Type Beta11 Beta22 Beta33 Beta12 Beta13 Beta23 Cu1 Cu2+ 0.0045 0.1298 0.0118 0 -.0015 0 N1 N0.33- 0.0062 0.1524 0.0173 0 -.0077 0 N2 N0.33- 0.0038 0.1154 0.0114 0 -.0019 0 N3 N0.33- 0.0045 0.1157 0.0099 0 -.0034 0 N4 N0.33- 0.0031 0.1262 0.0083 0 -.0003 0 N5 N0.33- 0.0051 0.1281 0.0121 0 -.0061 0 N6 N0.33- 0.0172 0.1773 0.0273 0 -.0254 0 Std. Notes Transformation Method: Tidy TRANS Origin 0 1/2 0 Std. Cell 13.4680 3.0820 9.0800 90 90 90 Std. Vol. 376.9 Std. Z 4 Std. SG PNMA Std. Atom Atom # OX SITE x y z SOF Cu 1 +2 4 c .10330 .25 .08030 1. N 1 -0.33 4 c .18800 .25 .33210 1. N 2 -0.33 4 c .25340 .25 .41060 1. N 3 -0.33 4 c .32200 .25 .49750 1. N 4 -0.33 4 c .47790 .25 .65270 1. N 5 -0.33 4 c .03040 .25 .73980 1. N 6 -0.33 4 c .08120 .25 .64580 1. *end for ICSD #28171 |
木蟲之王 (文學泰斗)
至尊山羊
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