具一维无公度调制的安康矿的晶体结构测定
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Crystal Structure Determination of Ankangite with One Dimensional Incommensurate Modulation
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    摘要:

    安康矿是在陕西省安康石梯重晶石矿床中发现的一种新矿物。分子式近于Ba(1·2)(Ti(5·3)V(2.8))(8.1)O(16),沿C轴具一维无公度调制结构,调制波向量为q=1/2.30C*。安康矿的平均结构与锰钡矿是等结构。空间群为14/m,a=10.139(4);b=2.961(2)A,Z=1。平均结构的强度数据收集是在cAD-4衍射仪上进行的。R=0.039(535个独立的衍射点)。安康矿的超晶胞是将其亚晶胞加大14倍而获得的,空间群P4/m,a=10.126(4)A,c=41.41(2)A,Z=14。用RIGAKU的RASA-ⅡS型衍射仪收集了8696个独立的衍射点,其中包括主衍射点及卫星衍射点。对于2353个可观察点经结构修正后R因子为0.2157。在四方柱孔道中测得了Ba原子的占位及位移。测定表明安康矿属占位调制及位移调制的复合型无公度调制,而且沿c轴方向为方波调制。

    Abstract:

    Ankangite is a new mineral discovered in the Shiti barite deposit, Ankang County, Shaanxi Province, with approximate formula Ba1.2(Ti5.3 V2.8)8.1O16.One dimensional incommensurate modulated structure is found along its c-axis, and the wave vector is q=1/2.30 c*. Ankangite (its average structure) is isostructural with hollandite. Space group 14/m, a=10.139(4)A,b=2.961(2) A,Z=1 .The intensity data of the average structure were abtained on a CAD -4 diffractometer, and R=0.039 (535 independent reflections).Its Supercell is 14 times as large as its subcell. Space group P4/m, a=10.126(4)A,c=41.41 (2A,Z=14.8696 independent reflections, including main and satellite reflec- tions, were collected by RASA-II S type diffractometer (RIGAKU),and R= 0.2157 (2353 observed reflections).The vacancies and displacement of Ba atoms were determined in square-prismatic tunnels. The determination indica- tes that the incommensurate modulation of ankangite is a combination of occupancy modulation and displacive modulation, and is a square wave modu- lation along c--axis.、

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施倪承,马喆生,刘 卫,1991,具一维无公度调制的安康矿的晶体结构测定[J].岩石矿物学杂志,10(3):233~245. Shi Nicheng, Ma Zhesheng, Liu Wei,1991,Crystal Structure Determination of Ankangite with One Dimensional Incommensurate Modulation[J]. Acta Petrologica et Mineralogica,10(3):233~245.

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