Does anyone have the CIF file of Ca3Co4O9 for crystallographic indexing?

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Yuzuru Miyazaki

It's quite difficult to summarise the crystallographic data of the calcium cobaltate into a 3D CIF file, because the phase has a 4-dimensional crystal structure and you need knowledge on superspace group to accurately describe the structure.

Murat Gunes

Thank you for the answer. Actually the superspace group is X2=m.0b0/s0. In the Crystallography Open Database, there are two different CIF files but unfortunatelly they support different phase.

Marcella Bini

This compound is not present in my inorganic database FindIt. There is instead Ca3Co2O6

Leela S. Panchakarla

Dear Murat,

Could you find CIF of Ca3Co4O9, if so can I borrow from you

Thank you in advance

Leela

E. Chávez-Ángel

Article Three Forms of the Misfit Layered Cobaltite [Ca 2CoO 3] [CoO...

https://materialsproject.org/materials/mp-1096877/