Crystal Structure Analysis of La2Ni6CoDx During Deuterium Absorption Process

详细信息    查看全文

• 作者：Kenji Iwase ; Kazuhiro Mori ; Suguru Tashiro ; Hitoshi Yokota ; Tetsuya Suzuki
• 刊名：Inorganic Chemistry
• 出版年：2015
• 出版时间：September 8, 2015
• 年：2015
• 卷：54
• 期：17
• 页码：8650-8655
• 全文大小：307K
• ISSN：1520-510X

文摘

The crystal structures of La₂Ni₆CoD_x (x = 5.2 and 9.6) were determined by in situ neutron diffraction along the P鈥揅 isotherm. La₂Ni₆CoD_5.2 (phase I) was found to be orthorhombic with lattice parameters a = 0.500670(2) nm, b = 0.867211(4) nm, and c = 2.99569(7) nm. The 10 deuterium sites were located in the MgZn₂-type and CaCu₅-type cells, with deuterium contents of 0.95 D/M and 0.39 D/M, respectively. The full deuteride La₂Ni₆CoD_9.6 (phase II) was monoclinic with lattice parameters a = 0.516407(3) nm, b = 0.894496(6) nm, c = 3.11206(1) nm, and 尾 = 90.15(1)掳. The phase II had 11 sites for deuterium occupation. The deuterium contents of the MgZn₂-type and the CaCu₅-type cell were 1.63 D/M and 0.78 D/M, respectively. The sequence of phase transformation of La₂Ni₆Co was hexagonal, followed by orthorhombic (phase I), and then monoclinic (phase II), for the first absorption process. The phase transformation resulted in lowered symmetry and the variation of deuterium atom occupation.