Abstract
We have determined the crystal structure of the quasi one-dimensional cuprate Ca0.83CuO2, known as Ca4Cu5O10, etc., by a superspace group approach. The compound consists of two interpenetrating subsystems of CuO2 chains and Ca atoms. Structural parameters were refined with a superspace group of F2/m(1+α 0 γ)0s using powder X-ray and neutron diffraction data. Lattice parameters were refined to be a1=2.8043(2) Å, b=6.3179(2) Å, c1=10.5744(5) Å, and β1=90.10(1)° for the [CuO2] subsystem and a2=3.3652(2) Å, b=6.3179(2) Å, c2=10.5893(5) Å, and β2=93.04(1)° for the [Ca] subsystem. Remarkable displacive modulation of the O and Ca atom sites is observed parallel to the b-axis and the c-axis, respectively. On the other hand, the Cu atom sites deviate mainly in the a direction to yield a periodic fluctuation between the nearest Cu–Cu distances. The Ca atoms suitably sit in the center of the modulated O6 octahedra.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
