Khademite, ideally Al(SO4)F(H2O)5, from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy, has been characterised through quantitative electron microprobe analysis, micro-Raman spectroscopy and single-crystal X-ray diffraction. Khademite occurs as colourless to whitish tabular crystals, up to 5 mm. Electron microprobe analysis (in wt.%, average of 20 spot analyses) gave: SO3 35.43, Al2O3 21.27, F 6.92, H2Ocalc 39.73, sum 103.35, –O = F 2.92, total 100.43. On the basis of 10 anions per formula unit, assuming the occurrence of 5 H2O groups and 1 (F+OH) atom per formula unit, its chemical formula can be written as Al0.96S1.02O4[F0.84(OH)0.16]Σ1.00⋅5H2O. The Raman spectrum of khademite is characterised by the occurrence of vibrational modes of SO4 groups and by broad and strong bands due to the O–H stretching modes. Khademite is orthorhombic, space group Pcab, with unit-cell parameters a = 11.1713(2), b = 13.0432(3), c = 10.8815(2) Å, V = 1585.54(5) Å3 and Z = 8. The crystal structure refinement converged to R1 = 0.0293 on the basis of 2359 unique reflections with Fo > 4σ(Fo) and 152 refined parameters. The crystal structure of khademite is characterised by the alternation, along b, of two distinct kinds of {010} layers, one formed by [001] rows of isolated Al-centred octahedra, connected to each other through H bonds, and the other showing isolated SO4 groups. Along b, oxygen atoms belonging to SO4 groups act as acceptor of H bonds from H2O groups coordinating Al atoms. The new data improved the description of the H bonds in khademite and led us to discuss about the possible existence of its (OH)-analogue, rostite. In addition, Raman spectroscopic data were collected on the same crystal used for the crystal-chemical characterisation, allowing a comparison with previous results.

Khademite，理想的是Al（SO 4）F（H 2 O）5，来自意大利托斯卡纳Apuan Alps的Monte Arsiccio矿，通过定量电子微探针分析，微拉曼光谱和单晶X射线衍射进行了表征。Khademite以无色至淡白色片状晶体出现，最大5 mm。电子探针分析（以重量％计，平均20次点分析）得出：SO 3 35.43，Al 2 O 3 21.27，F 6.92，H 2 O计算值39.73，总和103.35，-O = F 2.92，总计100.43。以每个公式单位10个阴离子为基础，假设出现5 H 2ø基团和1（F + OH）每公式单位原子，其化学式可被写为的Al 0.96 š 1.02 ö 4 [F 0.84（OH）0.16 ] Σ1.00 ⋅5H 2 khademite的O.的拉曼光谱的特征在于通过SO 4基团的振动模式的出现以及由于O–H拉伸模式而产生的宽和强带。Khademite是斜方晶系，空间群多克隆抗体，具有晶胞参数一个= 11.1713（2），b = 13.0432（3），C ^ = 10.8815（2），V = 1585.54（5）3和ž= 8的晶体结构细化收敛到- [R 1 = 0.0293 2359所具有独特的反射的基础上˚F ø >4σ（˚F ö）和152个精制参数。khademite的晶体结构的特征是，沿b交替出现了两种不同的{010}层，一层由[001]行分离的铝心八面体形成，并通过H键相互连接，另一层显示孤立的SO 4组。沿着b，属于SO 4基团的氧原子充当H 2的H键的受体O基团配位Al原子。新的数据改进了卡德米特中H键的描述，并导致我们讨论了其（OH）-类似物-钙钛矿的可能存在。此外，在用于晶体化学表征的同一晶体上收集了拉曼光谱数据，可以与以前的结果进行比较。