Crystal structure of the thortveitite‐related M phase, (MnxZn1–x)2V2O7 (0.75 < x < 0.913): a combined synchrotron powder and single‐crystal X‐ray study |
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Abstract: | The determination of the crystal structure of the M phase, (MnxZn1–x)2V2O7 (0.75 < x < 0.913), in the pseudobinary Mn2V2O7–Zn2V2O7 system for x ? 0.8 shows that the previously published triclinic unit‐cell parameters for this thortveitite‐related phase do not describe a true lattice for this phase. Instead, single‐crystal X‐ray data and Rietveld refinement of synchrotron X‐ray powder data show that the M phase has a different triclinic structure in the space group P with Z = 2. As prior work has suggested, the crystal structure can be described as a distorted version of the thortveitite crystal structure of β‐Mn2V2O7. A twofold superstructure in diffraction patterns of crystals of the M phase used for single‐crystal X‐ray diffraction work arises from twinning by reticular pseudomerohedry. This superstructure can be described as a commensurate modulation of a pseudo‐monoclinic basis structure closely related to the crystal structure of β‐Mn2V2O7. In comparison with the distortions introduced when β‐Mn2V2O7 transforms at low temperature to α‐Mn2V2O7, the distortions which give rise to the M phase from the β‐Mn2V2O7 prototype are noticeably less pronounced. |
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Keywords: | thortveitite manganese zinc divanadate superstructure crystal structure twinning synchrotron powder diffraction |
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