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One must take into account that for ionic that remains unchange (the total number of atoms is the same in the two complexes Ni2As4 and Fe2-Ni2As4), the overall electrical charge increase for more than 20 %, which is very significant if one considers the change in charge density that follows.
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One must take into account that for ionic volume that remains unchange (the total number of atoms is the same in the two complexes Ni2As4 and Fe2-Ni2As4), the overall electrical charge increase for more than 20 %, which is very significant if one considers the change in charge density that follows.
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In Ni2As4, junctions between the two tungstic fragments, As 2W15O56]12- and the equatorial metallic cluster Na2Ni2O16 is from αααα-type. The replacement of the two Na+ by two Fe3+ is accompanied by structural reorganization, which leads to a new type of junction between [As2W15O56] 12- fragments and the new equatorial cluster, Fe2Ni 2O16, a αββα-type junction
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