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首页> 外文期刊>Crystallography reports >Crystal structure of the NaCa(Fe ~(2+), Al, Mn) _5[Si _8O _(19)(OH)](OH) _7 ? _5H 2O mineral: A new representative of the palygorskite group
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Crystal structure of the NaCa(Fe ~(2+), Al, Mn) _5[Si _8O _(19)(OH)](OH) _7 ? _5H 2O mineral: A new representative of the palygorskite group

机译:NaCa(Fe〜(2+),Al,Mn)_5 [Si _8O _(19)(OH)](OH)_7的晶体结构? _5H 2O矿物:坡缕石族的新代表

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A specimen of a new representative of the palygorskite-sepiolite family from Aris phonolite (Namibia) is studied by single-crystal X-ray diffraction. The parameters of the triclinic (pseudomonoclinic) unit cell are as follows: a = 5.2527(2) ?, b = 17.901(1) ?, c = 13.727(1) ?, α = 90.018(3)°, β = 97.278(4)°, and γ = 89.952(3)°. The structure is solved by the direct methods in space group P ?1and refined to R = 5.5% for 4168 |F| > 7σ(F) with consideration for twinning by the plane perpendicular to y (the ratio of the twin components is 0.52: 0.48). The crystal chemical formula (Z = 1) is (Na _(1.6)K _(0.2)Ca _(0.2))[Ca _2(Fe _(3.6) ~(2+) Al _(1.6)Mn _(0.8))(OH) _9(H _2O) _2][(Fe _(3.9) ~(2+) Ti _(0.1))(OH) _5(H _2O) _2][Si _(16)O _(38)(OH) _2] ? _6H _2O, where the compositions of two ribbons of octahedra and a layer of Si tetrahedra are enclosed in brackets. A number of specific chemical, symmetrical, and structural features distinguish this mineral from other minerals of this family, in particular, from tuperssuatsiaite and kalifersite, which are iron-containing representatives with close unit cell parameters.
机译:通过单晶X射线衍射研究了来自阿里斯方沸石(纳米比亚)的坡缕石-海泡石家族的新代表的样品。三斜晶系(伪单斜晶)晶胞的参数如下:a = 5.2527(2)α,b = 17.901(1)α,c = 13.727(1)α,α= 90.018(3)°,β= 97.278( 4)°,且γ= 89.952(3)°。通过直接在空间群P?1中求解该结构,并针对4168 | F |将其精炼为R = 5.5%。 >7σ(F),并考虑通过垂直于y的平面进行孪晶(孪晶分量之比为0.52:0.48)。晶体化学式(Z = 1)为(Na _(1.6)K _(0.2)Ca _(0.2))[Ca _2(Fe _(3.6)〜(2+)Al _(1.6)Mn _(0.8 ))(OH)_9(H _2O)_2] [(Fe _(3.9)〜(2+)Ti _(0.1))(OH)_5(H _2O)_2] [Si _(16)O _(38 )(OH)_2]吗? _6H _2O,其中八面体的两个带和一层Si四面体的组成被括在括号中。许多特定的化学,对称和结构特征使该矿物与该族的其他矿物区别开来,特别是与tuperssuatsiaite和kaleifersite区别开来,后者是含铁的单体,具有接近的晶胞参数。

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