Single-crystal X-ray diffraction of grunerite up to 25.6 GPa: a new high-pressure clinoamphibole polymorph

Single-crystal X-ray diffraction of grunerite up to 25.6 GPa: a new high-pressure clinoamphibole polymorph
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高达 25.6 GPa 的镁铝榴石的单晶 X 射线衍射:一种新的高压斜闪石多晶型物

DOI:
10.1007/s00269-018-0999-1
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发表时间:
2019
影响因子:
1.4
通讯作者:
Zhang, Dongzhou
Zhang, Dongzhou
中科院分区:
地球科学4区
文献类型:
--
作者:
Yong, Tommy;Dera, Przemyslaw;Zhang, Dongzhou

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利用同步辐射X射线源,对(Fe5.237Mg1.646Ca0.061Mn0.051Na0.015Ti0.002Cr0.001K0.001)(Si7.932Al0.083)O22(OH)2天然红柱石晶体进行了高压单晶X射线衍射实验。在室温条件下,钙钛矿具有C2/m对称性。样品在298 K下在金刚石压砧单元中压缩至最大压力25.6(5)GPa。在7.4(1)GPa下,我们观察到一个先前描述过的从C2/m(α)到P21/m(β)的相变,以及在19.2(3)GPa下从P21/m(β)到C2/m(γ)的进一步相变。用Birch-Murnaghan二阶状态方程拟合压缩实验数据,得到α-石榴子石的V0 = 914.7(7)× 10 - 3,K 0 = 78(1)GPa,β-石榴子石的V0= 926(5)× 10 - 3,K 0 = 66(4)GPa,γ-石榴子石的V0 = 925(27)× 10 - 3,K 0 = 66(13)GPa。β-γ相变使四面体的双硅酸盐链产生更大程度的扭结,并伴随着α和c晶胞参数以及单斜β角的不连续变化。在22.8(4)GPa下,新高压C_2/m相的O_5-O_6-O_5扭折角为137.5(4)°,这是迄今所报道的单斜角闪石中最小的。该研究首次揭示了一种角闪石族矿物中存在三种多晶型体的结构特征,高压γ相的出现说明了单斜和双链硅酸盐的平行结构关系和相变行为。
High-pressure single-crystal X-ray diffraction experiments were conducted on natural grunerite crystals with composition (Fe5.237Mg1.646Ca0.061Mn0.051Na0.015Ti0.002Cr0.001K0.001)(Si7.932Al0.083)O22(OH)2,using a synchrotron X-ray source. Grunerite hasC2/msymmetry at ambient conditions. The samples were compressed at 298 K in a diamond-anvil cell to a maximum pressure of 25.6(5) GPa. We observe a previously described phase transition fromC2/m(α) toP21/m(β) to take place at 7.4(1) GPa, as well as a further transition fromP21/m(β) toC2/m(γ) at 19.2(3) GPa. The second-order Birch–Murnaghan equation of state fit to our compressional data, yielded the valuesV0= 914.7(7) Å3andK0= 78(1) GPa for α-grunerite,V0= 926(5) Å3andK0= 66(4) GPa for β-grunerite andV0= 925(27) Å3and K0= 66(13) GPa for γ-grunerite. The β–γ phase transition produces a greater degree of kinking in the double silicate chains of tetrahedra accompanied by a discontinuous change in theaandcunit cell parameters and the monoclinic β angle. At 22.8(4) GPa the O5–O6–O5 kinking angle of the new high-pressureC2/mphase is 137.5(4)°, which is the lowest reported for any monoclinic amphibole. This study is the first structural report to show the existence of three polymorphs within an amphibole group mineral. The high-pressure γ-phase illustrates the parallel structural relations and phase transformation behavior of both monoclinic single and double chain silicates.
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