Crystal structure of monoclinic hafnia and comparison with monoclinic zirconia Locality: synthetic
Crystal structure of monoclinic hafnia and comparison with monoclinic zirconia Locality: synthetic
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DOI：
10.1111/j.1151-2916.1970.tb12052.x
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发表时间：
1970-03
期刊：
影响因子：
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通讯作者：
R. Ruh;Peter W. R. Corfield
中科院分区：
文献类型：
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作者：
R. Ruh;Peter W. R. Corfield
用Weissenberg法测定了单斜晶型HfO2的晶体结构。数据是从钼酸锂熔体中生长的针状单晶中获得的。晶体沿α轴旋转，得到了9个能级的反射数据。三维最小二乘精化证实单斜半氧化锆与单斜氧化锆是同构的。结构中的原子坐标在一个标准偏差内一致。因此，金属原子的分数坐标相差小于0.0005，氧原子的分数坐标相差不大于0.01。而7个Hf-O距离中有3个大于相应的Zr-O距离，平均值约小0.01 A。在HfO2中，金属-金属之间的平均距离比在ZrO2中大约小0.02 A。
The crystal structure of monoclinic HfO2 was determined using Weissenberg techniques. Data were obtained from a needlelike single crystal which was grown from a lithium molybdate melt. The crystal was rotated about the α axis, and reflection data were obtained for nine levels. A three-dimensional least-squares refinement confirms that monoclinic hafnia is isomorphous with monoclinic zirconia. The atomic coordinates in the structures agree within one standard deviation. Thus, the fractional coordinates for the metal atom differ by less than 0.0005 and those for the oxygen atoms by no more than 0.01. Whereas three of the seven Hf–O distances are larger than the corresponding Zr–O distances, the average value is approximately 0.01 A smaller. The average metal-metal distance is approximately 0.02 A less in HfO2 than in ZrO2.