湖南郴州枞树板铅锌矿X光组构分析

作者通过对湖南郴州枞树板铅锌矿围岩及含矿构造带岩石的X光岩组分析,认为在构造变形过程中,原岩粒度越细,对变形的反映越敏感。在相同的变形条件下,较细的变质砂岩石的石英定向组构比较粗的变质砂岩内明显,板岩和粉砂质板岩的定向组构最明显。枞树板地区近EW向褶皱变形组构表现强烈,近SN向褶皱变形组构较弱。矿化热液的蚀变作用破坏了岩石中早期褶皱变形组构,但铅锌矿脉内的石英没有明显的生长组构,说明在矿化和含矿石英脉成生过程中没有明显的张性充填结晶表现,而是一种以交代为主的矿化形式。这与从其它地质地球化学研究取得的关于本     

电子背散射衍射和傅里叶变换红外光谱结合测量橄榄石的原位含水量

橄榄石的含水量对上地幔的物理化学性质具有重要影响。傅里叶变换红外光谱（简称FTIR） 是目前最常用的测量名 义上无水矿物含水量的方法。由于矿物中红外光谱的吸收系数是各向异性的,理论上应使用偏振光来测量橄榄石的含水 量,但是该方法需要把橄榄石颗粒分离出来进行定向,非常费时。前人大多使用非偏振光来测量薄片中多个橄榄石的含水 量,并使用Paterson （1982） 的校正方法计算样品中橄榄石的平均含水量。非偏振光的使用忽略了颗粒定向造成的影响,会 低估橄榄石的含水量。上地幔橄榄石常发育晶格优选定向,为快速准确地获得橄榄石的原位含水量,该文将电子背散射衍 射技术（EBSD） 与FTIR 相结合,提出测量薄片中橄榄石含水量的新方法。首先使用Bell 等（2003） 的红外偏振光实验结 果,通过橄榄石[100]、[010]和[001]方向的含水量吸收系数建立一个椭球体。然后使用EBSD 测量某一颗粒在薄片中的取 向,根据欧拉角计算该方向的含水量吸收系数Ws,再根据Beer-Lambert 公式获得该颗粒的含水量。对加拿大Slave 克拉通 Muskox 金伯利岩携带的石榴橄榄岩中橄榄石的含水量研究表明,该方法可用于测量显微尺度的橄榄石原位含水量分布,为 橄榄石含水量与组构关系的研究提供基础资料。     

晶体点阵参数最小二乘法计算程序

作者以最小二乘法理法导出了晶体点阵参数计算的公式,并顾及了X射线粉晶衍射图测定所引起的系统误差修正,从而得到点阵参数的最佳估值。以导出的公式为数学模型编制了PC-1500微机的扩展BASIC语言程序,可适用于各晶系点阵参数的计算,使用方便。     

High-pressure X-ray and Raman study of a ferrian magnesian spodumene

The high-pressure behaviour of a synthetic P2₁/c ferrian magnesian spodumene, ^M2 (Li_0.85Mg_0.09Fe²⁺ _0.06)^M1(Fe³⁺ _0.85Mg_0.15)Si₂O₆, has been investigated using in situ single-crystal X-ray diffraction and Raman spectroscopy. No phase transition has been observed within the pressure range investigated. The isothermal equation of state up to 7 GPa was determined. V₀, K_T0 and K, simultaneously refined with a Murnaghan equation of state, are: V₀= 415.66(7) ų, K_T0=83(1) GPa and K=9.6(6). The magnitudes of the principal unit-strain coefficients were calculated and their ratios 1:2:3=1.00:1.85:2.81 at P=6.83 GPa indicate a very strong anisotropy. Monitoring of the intensity of b-type reflections (h+k= 2n+1) confirms that from room conditions up to 7 GPa the primitive lattice is maintained. Raman spectra have been collected up to 7.4 GPa. No change in the number of observed vibrational modes occurs in the pressure range investigated. At high frequency, the Raman doublet relative to the Si–O–Si vibrations of the two distinct tetrahedral chains is a broad band at room pressure, however, the frequency difference between the two modes increases with increasing pressure.Operating system: Windows NT     

X射线衍射法在天然气水合物研究中的应用

天然气水合物是一种由气体分子(包括烃类和CO2、H2S等非烃类气体)和水分子在高压低温环境中形成的笼型水合物,主要有Ⅰ型(立方晶体结构)、Ⅱ型(菱形晶体结构)和H型(六方晶体结构)三种晶体结构。研究水合物的结构特征及变化规律,对于认识水合物形成机理、微观动力学、相态转化及水合物样品鉴定等具有重要意义。X射线衍射(XRD)是一种利用X射线照射晶体(或某些非晶态物质)时产生的衍射来研究晶体内部结构(即内部原子排布)的分析技术。该技术应用于天然气水合物研究,不仅能准确获取水合物的结构类型及晶格参数等重要信息,还能观测水合物生成分解的微观动力学过程。本文阐述了XRD技术应用于水合物结构特征研究、水合物生成/分解动力学过程原位观测以及野外水合物样品鉴定等方面的研究进展。已知结构Ⅰ型和Ⅱ型水合物立方晶体的边长分别约为12.0×10-10m和17.3×10-10m,而结构H型水合物六方晶体a轴和c轴的边长分别约为12.2×10-10m和10.0×10-10m,因此,通过XRD技术准确测量水合物晶体的晶格参数,即可判定水合物晶体的结构类型,该技术在国外已应用于海洋和冻土区钻获的天然气水合物样品鉴定并获得结构信息。此外,通过测定不同条件下生成的水合物晶体参数的变化,可研究水合物的结构转换及其影响规律,研究表明混合气体的组成、客体分子体积及直径大小、温度等都对水合物晶体参数及结构产生影响。通过在高压环境下的XRD原位技术,可测定水合物的生成与分解过程中衍射峰的变化,研究水合物生成/分解动力学过程,研究表明水合物生成/分解主要分两个阶段,即在气液(固)表面的快速生成/分解过程及气体分子在液(固)体内部的扩散过程,后一个阶段控制着反应速度。目前,国外在水合物研究中应用XRD技术已相对成熟,而我国才刚刚起步。本文认为,将XRD技术应用到天然气水合物的研究中,可解决水合物的结构类型鉴别及晶格参数测量等基本的科学问题,而且XRD技术与核磁共振、红外光谱、X-CT等分析技术的联用,尚有很大的发展空间,将为天然气水合物相关的理论研究提供强有力的技术支撑。     

In situ time resolved synchrotron powder diffraction study of thaumasite

Structural changes during dehydration and subsequent decomposition in thaumasite Ca₃Si(SO₄)(CO₃)(OH)₆·12 H₂O were studied by in situ synchrotron powder diffraction between 303 and 1,098 K. Evolution of the crystal structure was observed through 28 structure refinements, by full profile Rietveld analysis performed in the P6₃ space group, between 300 and 417 K, whereupon the thaumasite structure was observed to breakdown. Within this temperature range, the cell parameters of thaumasite increased as a function of temperature in a nearly linear fashion up to about 393 K, at which temperature, a slight slope change was observed. Above 400 K, the thermogravimetric analysis revealed that the dehydration process proceeded very rapidly while the refined occupancy of water molecules dropped below a critical level, leading to instability in the thaumasite structure. At a same time, a remarkable change in the unit cell parameters occurring at about 417 K indicated that the crystal structure of thaumasite collapsed on losing the crystallization water and it turned amorphous. This result indicated that the dehydration/decomposition of thaumasite was induced by the departure of the crystallization water. At about 950 K, anhydrite and cristobalite crystallized from the thaumasite glass.     

Estimating the settling velocity of bioclastic sediment using common grain‐size analysis techniques

Most techniques for estimating settling velocities of natural particles have been developed for siliciclastic sediments. Therefore, to understand how these techniques apply to bioclastic environments, measured settling velocities of bioclastic sedimentary deposits sampled from a nearshore fringing reef in Western Australia were compared with settling velocities calculated using results from several common grain‐size analysis techniques (sieve, laser diffraction and image analysis) and established models. The effects of sediment density and shape were also examined using a range of density values and three different models of settling velocity. Sediment density was found to have a significant effect on calculated settling velocity, causing a range in normalized root‐mean‐square error of up to 28%, depending upon settling velocity model and grain‐size method. Accounting for particle shape reduced errors in predicted settling velocity by 3% to 6% and removed any velocity‐dependent bias, which is particularly important for the fastest settling fractions. When shape was accounted for and measured density was used, normalized root‐mean‐square errors were 4%, 10% and 18% for laser diffraction, sieve and image analysis, respectively. The results of this study show that established models of settling velocity that account for particle shape can be used to estimate settling velocity of irregularly shaped, sand‐sized bioclastic sediments from sieve, laser diffraction, or image analysis‐derived measures of grain size with a limited amount of error. Collectively, these findings will allow for grain‐size data measured with different methods to be accurately converted to settling velocity for comparison. This will facilitate greater understanding of the hydraulic properties of bioclastic sediment which can help to increase our general knowledge of sediment dynamics in these environments.     

X-ray diffraction investigation of native Si-Fe alloy minerals from Luobusha, Tibet

The origin of native Si-Fe alloy mineral is thought to be related with mantle and aerolite. The native Si-Fe alloy minerals from podiform chromites of the Luobusha ophiolite in the Yarlong Zangbo suture zone were examined by a new method for powder-like diffractograms of small single crystals, using an SMART APEX-CCD area-detector X-ray diffractometer. The powder diffraction pattern shows that the minerals are composed of FeSi, FeSi₂, β-FeSi₂ and native silicon. The association of these minerals suggests that the crystallization order of the mineral may be from early to late FeSi→FeSi₂→native silicon, accompanied by gradually increasing deoxidization. Translated from Acta Petrologica et Mineralogica, 2005, 24(5): 453–456 [译自: 岩石矿物学杂志]