| NH_4ZnPO_4晶体结构Rietveld法精修 |
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| 引用本文： | 刘明光,郭虎森.NH_4ZnPO_4晶体结构Rietveld法精修[J].现代仪器,2003(3):23-24. |
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| 作者姓名： | 刘明光 郭虎森 |
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| 作者单位： | 南开大学中心实验室,天津,300071 |
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| 摘 要： | 本文详细阐述用X射线粉末衍射及Rietveld法研究NH_4ZnPO_4晶体结构精修的实验方法。通过对85个结构模型参数、样品特性参数和仪器对衍射谱图的影响参数进行精修,进一步说明在精修过程中应注意的问题。该样品为单科晶系,其空间群为:P2_1,Z=4,精修后的晶胞参数为:a=8.7839(13)A,b=5.4432(21)A,c=8.9543(13)A,β=90.318(38)°,v=428.126(14)×10~(-10)m,Dx=2,830g/cm~3,品质因子:F(20)=27,M(20)=39,结构吻合因子:Rp=16.98％,Rwp=21.25％,R_(EXP)=16.18,S=1.3。
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| 关 键 词： | NH_4ZnPO_4 晶体结构 精修 |
The rietveld refinement of NH4ZnPO4 crystal structure |
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| Liu Mingguang Guo Husen.The rietveld refinement of NH4ZnPO4 crystal structure[J].Modern Instruments,2003(3):23-24. |
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| Authors: | Liu Mingguang Guo Husen |
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| Abstract: | The crystal structure of NH4ZnPO4 has been researched by means of X - ray powder diffraction and rietveld method. The following rietveld refinement was carried out with 2750 step intensities and 85 parameters in the range of 5 -60 °(26)(CuKα).The result of crystal structure is:Space group P21, Unit - cell parameters a = 8.7839(13)A, b = 5.4432(21)A, c = 8.9543(13)A, (3 = 90.318 (38) °,v = 428.126(14) × 10-10m, Dx = 2.830g/cm3,The"R-factors" of structure RP= 16.98%, RWP = 21.25%, REXP=16.18, S=1.3. |
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| Keywords: | NH4ZnPO4 Crystal structure Refinement |
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