硫酸锌

ZnSO4纳米晶的结构表征孙玉希化12级3班全体成员Abstract晶体都具有特定的晶体结构，通过X射线扫描，根据所得的XRD图谱，可以确定样品中存在的物相，可以直接根据图谱，推断晶体状态，硫酸锌的晶体状态为无色斜方晶体，晶胞参数CrystaldataZnH12O6.2(SO4).2(H2O)Z=2Mr=401.62Dx=1.884Mgm-3Monoclinic,P21/cMoKradiationa=6.2393(4)ÅCellparametersfrom6635reflectionsb=12.6675(8)Å=2.8–28.2°c=9.3591(6)Å=2.11mm-1=106.8720(10)°T=295(2)KV=707.87(8)Å3Plane,colorlessDatacollectionBrukerSMARTAPEXarea-detectordiffractometer1433reflectionswithI2(I)andscanRint=0.023.000Absorptioncorrection:multi-scan(basedonsymmetry-relatedmeasurements)max=26.5°Tmin=0.518.000,Tmax=0.678.000h=-777273measuredreflectionsk=-15151460independentreflectionsl=-1111Keywords:ZnSO4纳米晶X衍射XRD图结构表征Introduction:随着材料科学技术的日益发展，无机功能晶体已经成为现代科学技术中不可缺少的应用材料，对无机功能晶体的结晶形态，微观结构，尺寸大小的表征是确定晶体及晶体用途的客观需要Experimental：通过制得无机晶体ZnSO4，在显微镜下选择合适的晶体后，用X射线仪测定ZnSO4的晶体结构,得到Znso4的CIF全部内容如下：CrystaldataZnH12O6.2(SO4).2(H2O)Z=2Mr=401.62Dx=1.884Mgm-3Monoclinic,P21/cMoKradiationa=6.2393(4)ÅCellparametersfrom6635reflectionsb=12.6675(8)Å=2.8–28.2°c=9.3591(6)Å=2.11mm-1=106.8720(10)°T=295(2)KV=707.87(8)Å3Plane,colorlessa≠b≠cß,≠90°,所以该晶体结构为斜方晶体，晶胞结构单元数为2DatacollectionBrukerSMARTAPEXarea-detectordiffractometer1433reflectionswithI2(I)andscanRint=0.023.000Absorptioncorrection:multi-scan(basedonsymmetry-relatedmeasurements)max=26.5°Tmin=0.518.000,Tmax=0.678.000h=-777273measuredreflectionsk=-15151460independentreflectionsl=-1111RefinementRefinementonF2MixtureofindependentandconstrainedH-atomrefinementR[F22(F2)]=0.069.000Calculatedweightsw=1/[2(Fo2)+(0.1358P)2+3.804P]whereP=(Fo2+2Fc2)/3wR(F2)=0.224.000(/)max0.0001S=1.17max=0.98.00eÅ-11460reflectionsmin=-2.41eÅ-190parametersExtinctioncorrection:noneGeometricparameters(Å,°)foraZn1—O12.140(4)Zn1—O3i2.179(4)Zn1—O22.179(4)S1—O51.461(4)Zn1—O32.179(4)S1—O61.482(4)Zn1—O1i2.140(4)S1—O71.479(4)Zn1—O2i2.179(4)S1—O41.473(4)O1—Zn1—O292.1(1)O3—Zn1—O3i180.0O1—Zn1—O390.8(2)O1i—Zn1—O2i92.13(1)O1—Zn1—O1i180.0O1i—Zn1—O3i90.81(2)O1—Zn1—O2i87.9(1)O2i—Zn1—O3i89.42(1)O1—Zn1—O3i89.2(2)O6—S1—O7109.8(2)O2—Zn1—O389.4(1)O4—S1—O7108.2(2)O1i—Zn1—O287.9(1)O4—S1—O5109.2(2)O2—Zn1—O2i180.0O4—S1—O6109.8(2)O2—Zn1—O3i90.6(1)O5—S1—O6110.4(3)O1i—Zn1—O389.2(2)O5—S1—O7109.4(3)O2i—Zn1—O390.6(1)通过以上数据得锌与两个氧形成化学键，硫与四个氧形成化学键，且氧与锌存在三种连接方式，硫与氧也存在两种连接方式（氧的存在方式为2:1）Symmetrycodes:(i)2-x,-y,1-z.Hydrogen-bondparameters(Å,°)foraD—HH...AD...AD—H...AO1—H1A...O4i0.82001.95002.763(5)170.00O1—H1B...O7ii0.82001.88002.696(5)174.00O2—H2A...O6iii0.82002.04002.830(6)162.00O2—H2B...O40.81002.03002.795(5)157.00O3—H3A...O5iv0.82001.91002.714(5)168.00O3—H3B...O6v0.82001.94002.754(5)172.00O8—H8A...O4vi0.82002.26002.843(6)128.00O8—H8B...O70.82002.22002.987(6)156.00Symmetrycodes:(i)1-x,-y,1-z;(ii)1-x,-1/2+y,1/2-z;(iii)1+x,y,z;(iv)1+x,y,1+z;(v)1+x,1/2-y,1/2+z;(vi)1-x,1/2+y,1/2-z.由以上数据可知，氢既参与了化学键的形成，也参与了氢键的形成Resultanddiscussion通过试验及结果计算，得出八水硫酸锌的晶体结构为无色斜方晶体X射线法具有不损伤物品，无污染，快捷。测量精度高，能得到有关晶体完整性的大量信息等优点ConlusionViewofthetitlecompoundwiththeatomnumberingscheme.Displacementellipsoidsfornon-Hatomsaredrawnatthe50%probabilitylevel.FigurecaptionsC