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yanchunpei木蟲 (小有名氣)
木蟲
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[求助]
求YSi3N5的CIF文件 已有1人參與
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| 如題,求求YSi3N5或者LuSi3N5的CIF文件,謝謝 |

鐵桿木蟲 (職業(yè)作家)
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不知道是不是這個(gè)的同晶型, *data for ICSD #402910 Coll Code 402910 Rec Date 1997/5/13/星期二 Chem Name Cerium Silicon Nitride (1/3/5) Structured Ce Si3 N5 Sum Ce1 N5 Si3 ANX AB3X5 D(calc) 4.63 Title Crystal structure of cerium silicon nitride (1/3/5), Ce Si3 N5 Author(s) Woike, M.;Jeitschko, W. Reference Zeitschrift fuer Kristallographie (149,1979-) (1996), 211, 813-813 Unit Cell 4.799(2) 7.837(2) 11.233(3) 90. 90. 90. Vol 422.47 Z 4 Space Group P 21 21 21 SG Number 19 Cryst Sys orthorhombic Pearson oP36 Wyckoff a9 R Value .027 Red Cell P 4.799 7.837 11.233 90 90 90 422.47 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-086-1858 Temperature factors available X-ray diffraction from single crystal At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. Atom # OX SITE x y z SOF H Ce 1 +3 4 a 0.50734(5) 0.06038(2) 0.16958(2) 1. 0 Si 1 +4 4 a 0.0139(3) 0.3385(1) 0.16052(8) 1. 0 Si 2 +4 4 a 0.0163(3) 0.2069(1) 0.41701(8) 1. 0 Si 3 +4 4 a 0.5239(2) 0.4671(1) 0.04127(8) 1. 0 N 1 -3 4 a 0.1847(6) 0.5188(4) 0.0931(3) 1. 0 N 2 -3 4 a 0.6705(6) 0.3896(4) 0.1678(3) 1. 0 N 3 -3 4 a 0.2960(6) 0.1494(4) 0.5106(3) 1. 0 N 4 -3 4 a 0.0463(7) 0.1579(4) 0.0796(3) 1. 0 N 5 -3 4 a 0.1664(7) 0.2935(4) 0.2949(3) 1. 0 Lbl Type U11 U22 U33 U12 U13 U23 Ce1 Ce3+ 0.00494(4) 0.00487(4) 0.00539(4) 0.00023(9) -.0003(1) 0.00039(6) Si1 Si4+ 0.0040(3) 0.0039(3) 0.0036(3) 0.0003(4) 0.0006(5) -.0001(2) Si2 Si4+ 0.0026(3) 0.0035(3) 0.0035(3) -.0007(4) 0.0001(4) -.0001(2) Si3 Si4+ 0.0029(3) 0.0036(3) 0.0041(3) 0.0006(3) -.0006(3) 0.0005(2) N1 N3- 0.0010(8) 0.0040(9) 0.006(1) 0.0010(8) 0.0012(8) 0.0020(9) N2 N3- 0.0038(8) 0.0051(9) 0.006(1) -.0006(8) 0.001(1) 0.000(1) N3 N3- 0.0038(9) 0.0030(9) 0.004(1) -.0008(8) -.0011(8) -.0015(9) N4 N3- 0.010(1) 0.007(1) 0.008(1) 0.0029(9) -.0025(9) -.0025(9) N5 N3- 0.007(1) 0.009(1) 0.004(1) 0.001(1) 0.0010(9) 0.002(1) Std. Notes Transformation Method: Tidy Multiple transformations possible, first one selected Std. Cell 4.7990 7.8370 11.2330 90 90 90 Std. Vol. 422.47 Std. Z 4 Std. SG P212121 Std. Atom Atom # OX SITE x y z SOF Ce 1 +3 4 a .50734 .06038 .16958 1. Si 1 +4 4 a .01390 .33850 .16052 1. Si 2 +4 4 a .01630 .20690 .41701 1. Si 3 +4 4 a .52390 .46710 .04127 1. N 1 -3 4 a .18470 .51880 .09310 1. N 2 -3 4 a .67050 .38960 .16780 1. N 3 -3 4 a .29600 .14940 .51060 1. N 4 -3 4 a .04630 .15790 .07960 1. N 5 -3 4 a .16640 .29350 .29490 1. *end for ICSD #402910 |
木蟲 (小有名氣)
木蟲

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