X-ray absorption investigation of the site occupancies of the copper element in nominal Cu3Zn(OH)6FB

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With Zn substitution to the three-dimensional antiferromagnetically ordered barlowite Cu4(OH)6FBr,Cu3Zn(OH)6FBr shows no magnetic phase transition down to 50 mK,and the system is suggested to be a two-dimensional kagomé quantum spin liquid[Chin.Phys.Lett.34 077502(2017)].A key issue to identify such phase diagram is the exact chemical formula of the substituted compound.With Cu L-edge x-ray absorption spectrum(XAS)combined with the MultiX XAS calculations,we evaluate the Cu concentration in a nominal Cu3Zn(OH)6FBr sample.Our results show that although the Cu concentration is 2.80,close to the expected value,there is 34%residual Cu occupation in intersite layers between kagomé layers.Thus the Zn substitution of the intersite layers is not complete,and likely it intrudes the kagomé layers.
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