Crystal structure of β′-Zn2V2O7

Красненко, Т. И.; Зубков, В. Г.; Tyutyunnik, A. P.; Zolotukhina, L. V.; Vasyutinskaya, E. F.

doi:10.1134/1.1541739

Cited by 13 publications

(9 citation statements)

References 4 publications

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“…5 The calculated atomic positions (given in Table 3) also agree well with the literature. 36 The similitude between the calculated and measured crystal structure of the bphase supports the a-b transition found in experiments. In addition, the similarities of the calculated g-phase with the gphase found in the experiments, support the observation of this phase at 3.8 GPa.…”

Section: Pressure-induced Phase Transitionssupporting

confidence: 69%

Density-functional study of pressure-induced phase transitions and electronic properties of Zn₂V₂O₇

2021

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Section: Pressure-induced Phase Transitionssupporting

confidence: 69%

Density-functional study of pressure-induced phase transitions and electronic properties of Zn₂V₂O₇

2021

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“…Krasnenko et al (2002) also deduced from differential thermal analysis work that the M phase was a deformed version of the high-temperature -Zn 2 V 2 O 7 solid solution which dominates the pseudobinary Mn 2 V 2 O 7 -Zn 2 V 2 O 7 phase diagram at high temperatures. The high-temperature end members of this Mn 2 (Liao et al, 1996;Krasnenko et al, 2003); both adopt the aristotype thortveitite crystal structure in the space group C2/m, with Z = 2 (Zachariasen, 1930;Cruickshank et al, 1962;Foord et al, 1993). This crystal structure is characterized by a linear X-O-X angle between the two corner-sharing XO 4 tetrahedra of the X 2 O 7 group and by edge-sharing M 00 O 6 octahedra of the cations.…”

Section: Resultsmentioning

confidence: 99%

“…This 2009 study also showed that the true unit cell was different from that reported earlier by Zhuravlev et al (1993). In the light of this reassessment of the L phase, we have also synthesized the M phase in the form of both a polycrystalline and a single-crystalline material to determine its crystal structure and to examine how it is related to the aristotype thortveitite crystal structures of -Mn 2 V 2 O 7 (Liao et al, 1996) and 0 -Zn 2 V 2 O 7 (Krasnenko et al, 2003). The designation 0 to denote this Zn 2 V 2 O 7 crystal structure was introduced by Krasnenko et al (2003) to avoid confusion with an unconfirmed -Zn 2 V 2 O 7 reported by Brown & Hummel (1965).…”

Section: Introductionmentioning

confidence: 99%

Crystal structure of the thortveitite-relatedMphase, (Mn_xZn_1–x)₂V₂O₇(0.75 <x< 0.913): a combined synchrotron powder and single-crystal X-ray study

et al. 2018

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Supporting information: this article has supporting information at journals.iucr.org/c Crystal structure of the thortveitite-related M phase, (Mn x Zn 1-x ) 2 V 2 O 7 (0.75 < x < 0.913): a combined synchrotron powder and single-crystal X-ray studyThe determination of the crystal structure of the M phase, (Mn x Zn 1-x ) 2 V 2 O 7 (0.75 < x < 0.913), in the pseudobinary Mn 2 V 2 O 7 -Zn 2 V 2 O 7 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 P1 with Z = 2. As prior work has suggested, the crystal structure can be described as a distorted version of the thortveitite crystal structure of -Mn 2 V 2 O 7 . 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 -Mn 2 V 2 O 7 . In comparison with the distortions introduced when -Mn 2 V 2 O 7 transforms at low temperature to -Mn 2 V 2 O 7 , the distortions which give rise to the M phase from the -Mn 2 V 2 O 7 prototype are noticeably less pronounced. research papers 1080 Knowles et al. Crystal structure of a thortveitite-related M phase Knowles et al. Crystal structure of a thortveitite-related M phase 1087 supporting information sup-1

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“…In turn, the triclinic structure of ␤-Fe 2 P 2 O 7 is a distorted version of the ␤-A 2 P 2 O 7 structure-type [A = Cu, Co, Mn, Ni, Zn; see Parada et al (2003) for references] that crystallize in space group C2/m. It should be noted that the ␤-A 2 P 2 O 7 structure-type is also characteristic of some divanadates such as ␤'-Zn 2 V 2 O 7 (Krasnenko et al 2003), ␤-Mn 2 V 2 O 7 (Dorm & Marinder 1967, Liao et al 1996, and Cd 2 V 2 O 7 (Au & Calvo 1967, Sokolova et al 1986). Thus, the structure of ␥-Cu 2 V 2 O 7 can be considered as a triclinically distorted derivative of the ␤-A 2 P 2 O 7 structure-type.…”

Section: Relationships To the A 2 B 2 X 7 Compoundsmentioning

confidence: 99%

CRYSTAL STRUCTURE OF -Cu2V2O7 AND ITS COMPARISON TO BLOSSITE ( -Cu2V2O7) AND ZIESITE ( -Cu2V2O7)

Krivovichev¹,

Филатов²,

Cherepansky³

et al. 2005

The Canadian Mineralogist

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Single crystals of ␥-Cu 2 V 2 O 7 were obtained by the method of chemical transport reactions. The crystal structure [triclinic, P1, a 5.0873(10), b 5.8233(11), c 9.4020(18) Å, ␣ 99.780(3), ␤ 97.253(3), ␥ 97.202(3)°, V 269.20(9) Å 3 , Z = 2] has been solved by direct methods and refined to R 1 = 0.021 (wR 2 = 0.049) using 949 unique observed reflections with |F o | ≥ 4 F . The atomic arrangement contains two symmetrically independent Cu 2+ cations. The Cu(1) site is coordinated by six O atoms to form a distorted Cu(1)O 6 octahedron, whereas the Cu (2) site is coordinated by five O atoms arranged at the vertices of an elongate Cu(2)O 5 square pyramid. Two symmetrically independent V 5+ cations are tetrahedrally coordinated by four O atoms each. The O(5) atom bridges the V(1)O 4 and V(2)O 4 tetrahedra. The Cu(1)O 6 octahedra and Cu(2)O 5 square pyramids form two types of chains running parallel to the a axis. The chains are linked by V 2 O 7 groups into a complex heteropolyhedral framework. The structure of ␥-Cu 2 V 2 O 7 is closely related to the structures of ␣-Cu 2 V 2 O 7 (blossite) and ␤-Cu 2 V 2 O 7 (ziesite). The three structures are based upon chains of edge-sharing Cu 2+ polyhedra linked by V 2 O 7 groups. Similarity of the structure of ␥-Cu 2 V 2 O 7 to the structures of blossite and ziesite indicates possible formation of this phase under natural conditions, such as those that occur in "dry" high-temperature fumaroles of the Izalco (El Salvador) and Tolbachik (Kamchatka, Russia) volcanoes. The structure of ␥-Cu 2 V 2 O 7 can also be considered as a triclinically distorted derivative of the ␤-A 2 P 2 O 7 structure-type.

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Crystal structure of β′-Zn2V2O7

Cited by 13 publications

References 4 publications

Density-functional study of pressure-induced phase transitions and electronic properties of Zn₂V₂O₇

Density-functional study of pressure-induced phase transitions and electronic properties of Zn₂V₂O₇

Crystal structure of the thortveitite-relatedMphase, (Mn_xZn_1–x)₂V₂O₇(0.75 <x< 0.913): a combined synchrotron powder and single-crystal X-ray study

CRYSTAL STRUCTURE OF -Cu2V2O7 AND ITS COMPARISON TO BLOSSITE ( -Cu2V2O7) AND ZIESITE ( -Cu2V2O7)

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Crystal structure of β′-Zn2V2O7

Cited by 13 publications

References 4 publications

Density-functional study of pressure-induced phase transitions and electronic properties of Zn2V2O7

Density-functional study of pressure-induced phase transitions and electronic properties of Zn2V2O7

Crystal structure of the thortveitite-relatedMphase, (MnxZn1–x)2V2O7(0.75 <x< 0.913): a combined synchrotron powder and single-crystal X-ray study

CRYSTAL STRUCTURE OF -Cu2V2O7 AND ITS COMPARISON TO BLOSSITE ( -Cu2V2O7) AND ZIESITE ( -Cu2V2O7)

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Density-functional study of pressure-induced phase transitions and electronic properties of Zn₂V₂O₇

Density-functional study of pressure-induced phase transitions and electronic properties of Zn₂V₂O₇

Crystal structure of the thortveitite-relatedMphase, (Mn_xZn_1–x)₂V₂O₇(0.75 <x< 0.913): a combined synchrotron powder and single-crystal X-ray study