型泡铁矿的晶体化学及泡铁矿群命名法的建立

IF 1.8 3区 地球科学 Q2 MINERALOGY European Journal of Mineralogy Pub Date : 2023-11-01 DOI:10.5194/ejm-35-909-2023
Ian E. Grey, Stephanie Boer, Colin M. MacRae, Nicholas C. Wilson, William G. Mumme, Ferdinando Bosi
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引用次数: 0

摘要

摘要对保晶石的模式试样进行了单晶结构的测定和细化。结构分析表明,该矿物具有单斜对称性,空间群为P21/c,而不是原报道的正交Pbca。单位格参数为a=10.569(2), b=20.590(4), c=12.413(2) Å, β=90.33(3)。将结构优化结果与电子探针分析相结合,建立了经验结构式A1[(H2O)0.98K0.02]Σ1.00 A2K1.00 M1(Mg1.02Mn0.982+)Σ2.00 M2(Fe1.203+Ti0.544+Al0.24Mg0.02)Σ2.00 M3(Ti0.744+ Fe0.263+)Σ1.00 (PO4)4.02 X[O1.21F0.47(OH)0.32]Σ2.00(H2O)10⋅3.95H2O,由此得到端元式(H2O)KMg2Fe2Ti(PO4)4(OF)(H2O)10⋅4H2O。国际矿物学协会新矿物、命名法和分类委员会核可了一项建议,即建立一个由正晶成员辉长石、锰酸钾长石、长辉长石和长辉长石以及单斜成员辉长石和绿辉长石组成的泡铁长石组。正斜晶和单斜晶的通式分别为A2M12M22M3(PO4)4X2(H2O)10⋅4H2O和A1A2M12M22M3(PO4)4X2(H2O)10⋅4H2O,其中A= K, H2O,□(=空缺);M1 = Mn2+, Mg, Fe2+, Zn(很少为Fe3+);M2和M3 = Fe3+, Al, Ti4+(很少有Mg);X= O, OH, F。在单斜物质中,K和H2O在A1和A2位点表现出有序,而O, (OH)和F在两个不相等的X1和X2位点表现出无序,因此在通式中合并为X2。在单斜晶和正交晶中,Fe3+、Al和Ti的高度混合发生在泡泡石基团成员的M2和M3位点,这使得很难从单个位点的成分结构测定中得到明确的端元公式。为了解决这个问题,采用了一种方法,包括合并M2和M3位点的组合物,并应用位点-总电荷法。合并位点方法允许直接从化学分析中获得端元公式,而无需进行晶体结构改进以获得单个位点物种。
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Crystal chemistry of type paulkerrite and establishment of the paulkerrite group nomenclature
Abstract. A single-crystal structure determination and refinement has been conducted for the type specimen of paulkerrite. The structure analysis showed that the mineral has monoclinic symmetry, space group P21/c, not orthorhombic, Pbca, as originally reported. The unit-cell parameters are a=10.569(2), b=20.590(4), c=12.413(2) Å, and β=90.33(3)∘. The results from the structure refinement were combined with electron microprobe analyses to establish the empirical structural formula A1[(H2O)0.98K0.02]Σ1.00 A2K1.00 M1(Mg1.02Mn0.982+)Σ2.00 M2(Fe1.203+Ti0.544+Al0.24Mg0.02)Σ2.00 M3(Ti0.744+ Fe0.263+)Σ1.00 (PO4)4.02 X[O1.21F0.47(OH)0.32]Σ2.00(H2O)10 ⋅ 3.95H2O, which leads to the end-member formula (H2O)KMg2Fe2Ti(PO4)4(OF)(H2O)10 ⋅ 4H2O. A proposal for a paulkerrite group, comprising orthorhombic members benyacarite, mantiennéite, pleysteinite, and hochleitnerite and monoclinic members paulkerrite and rewitzerite, has been approved by the International Mineralogical Association's Commission for New Minerals, Nomenclature and Classification. The general formulae are A2M12M22M3(PO4)4X2(H2O)10 ⋅ 4H2O and A1A2M12M22M3(PO4)4X2(H2O)10 ⋅ 4H2O for orthorhombic and monoclinic species, respectively, where A= K, H2O, □ (= vacancy); M1 = Mn2+, Mg, Fe2+, Zn (rarely Fe3+); M2 and M3 = Fe3+, Al, Ti4+ (and very rarely Mg); X= O, OH, F. In monoclinic species, K and H2O show an ordering at the A1 and A2 sites, whereas O, (OH), and F show a disordering over the two non-equivalent X1 and X2 sites, which were hence merged as X2 in the general formula. In both monoclinic and orthorhombic species, a high degree of mixing of Fe3+, Al, and Ti occurs at the M2 and M3 sites of paulkerrite group members, making it difficult to get unambiguous end-member formulae from the structural determination of the constituents at individual sites. To deal with this problem an approach has been used that involves merging the compositions at the M2 and M3 sites and applying the site-total-charge method. The merged-site approach allows end-member formulae to be obtained directly from the chemical analysis without the need to conduct crystal-structure refinements to obtain the individual site species.
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来源期刊
CiteScore
2.80
自引率
9.50%
发文量
40
审稿时长
6-12 weeks
期刊介绍: EJM was founded to reach a large audience on an international scale and also for achieving closer cooperation of European countries in the publication of scientific results. The founding societies have set themselves the task of publishing a journal of the highest standard open to all scientists performing mineralogical research in the widest sense of the term, all over the world. Contributions will therefore be published primarily in English. EJM publishes original papers, review articles and letters dealing with the mineralogical sciences s.l., primarily mineralogy, petrology, geochemistry, crystallography and ore deposits, but also biomineralogy, environmental, applied and technical mineralogy. Nevertheless, papers in any related field, including cultural heritage, will be considered.
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