Journal
PHYSICAL REVIEW B
Volume 80, Issue 5, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.054101
Keywords
bond lengths; long-range order; Monte Carlo methods; neutron diffraction; nickel compounds; space groups; thermal expansion; vibrational modes; X-ray diffraction
Funding
- EPSRC [EP/G004528/2, EP/G004528/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/G004528/1, EP/G004528/2] Funding Source: researchfish
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By combining the results of both x-ray diffraction and neutron total-scattering experiments, we show that Ni(CN)(2) exhibits long-range structural order only in two dimensions, with no true periodicity perpendicular to its gridlike layers. Reverse Monte Carlo analysis gives an experimental distinction between M-C and M-N bond lengths in a homometallic cyanide framework and identifies the vibrational modes responsible for anomalous positive and negative thermal expansion in the title compound.
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