A refinement of the atomic and thermal parameters of α-manganese from a single crystal

Oberteuffer, J. A.; Ibers, James A.

doi:10.1107/s0567740870004399

Cited by 69 publications

(46 citation statements)

References 6 publications

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“…27 However, various in situ studies see no evidence of crystalline Li 2 O at the end of discharge, such as in the conversion of Mn 3 O 4 and CoO. 6,26 These in situ results are in agreement with our findings, suggesting electrochemical products are amorphous, but 23 41775, 24 and 41509. 25 MnO peaks do not return with charge, which is suggestive of a charge product with no long-range order.…”

Section: In Situ Xrd and Electrochemical Impedance Study Of Mno Convesupporting

confidence: 83%

MnO Conversion in Li-Ion Batteries: In Situ Studies and the Role of Mesostructuring

Butala

Danks

Lumley

et al. 2016

ACS Appl. Mater. Interfaces

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Complex manganese oxides have been extensively studied as intercalation Li-ion battery electrodes. The simple oxide MnO has been proposed as a conversion anode material with a theoretical capacity of 756 mAh g −1 for full reduction to the metal.We report the reaction of MnO with Li using in situ X-ray diffraction and find no sign of crystalline products upon either discharge or charge. However, the absence of reflections, paired with electrochemical impedance spectroscopy, suggests disordered discharge products. We also examine composite electrodes with porous particles of MnO as the active component, with pores generated through the reductive heating of Mn 3 O 4 . We compare the behavior of these with more dense MnO powders, including studies of the electrode morphologies pre-and post-cyling. We find differences in the first discharge relevant to the utility of such mesostructuring in conversion reaction materials. Specifically, we find this type of mesostructure, which gives advantage in intercalation and pseudocapacitive storage, does not yield the same benefits for conversion reaction systems.2

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Section: In Situ Xrd and Electrochemical Impedance Study Of Mno Convesupporting

confidence: 83%

MnO Conversion in Li-Ion Batteries: In Situ Studies and the Role of Mesostructuring

Butala

Danks

Lumley

et al. 2016

ACS Appl. Mater. Interfaces

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“…The special positions occupied are identical to those of α-manganese and the atomic fractional coordinates given in Table I are within 0.01 of those of α-manganese. 31 This crystal structure has been described by Bradley and Thewlis 32 as well as Oberteuffer and Ibers. 31 …”

Section: Solution Of the Carbon Substructurementioning

confidence: 99%

“…31 This crystal structure has been described by Bradley and Thewlis 32 as well as Oberteuffer and Ibers. 31 …”

Section: Solution Of the Carbon Substructurementioning

confidence: 99%

The crystal structure of methane B at 8 GPa—An α-Mn arrangement of molecules

Maynard-Casely

Lundegaard

Loa

et al. 2014

The Journal of Chemical Physics

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From a combination of powder and single-crystal synchrotron x-ray diffraction data we have determined the carbon substructure of phase B of methane at a pressure of ∼8 GPa. We find this substructure to be cubic with space group $I\bar 43m$I4¯3m and 58 molecules in the unit cell. The unit cell has a lattice parameter a = 11.911(1) Å at 8.3(2) GPa, which is a factor of √2 larger than had previously been proposed by Umemoto et al. [J. Phys.: Condens. Matter 14, 10675 (2002)]. The substructure as now solved is not related to any close-packed arrangement, contrary to previous proposals. Surprisingly, the arrangement of the carbon atoms is isostructural with that of α-manganese at ambient conditions.

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“…The surrounding cubooctahedron (CO) of 12 atoms is distorted so that the square faces become rectangular in such a way that the four large triangular faces cap the atoms of the tetrahedron (T). Two such isolated nested polyhedra units are found in the unit cell of the a-Mn structure (Oberteuffer & Ibers, 1970).…”

Section: Nested Polyhedra Units Used As Basic Building Blocksmentioning

confidence: 99%

Nested polyhedra units: a geometrical concept for describing complicated cubic structures

Chabot¹,

Cenzual²,

Parthé³

1981

Acta Cryst Sect A

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A refinement of the atomic and thermal parameters of α-manganese from a single crystal

Cited by 69 publications

References 6 publications

MnO Conversion in Li-Ion Batteries: In Situ Studies and the Role of Mesostructuring

MnO Conversion in Li-Ion Batteries: In Situ Studies and the Role of Mesostructuring

The crystal structure of methane B at 8 GPa—An α-Mn arrangement of molecules

Nested polyhedra units: a geometrical concept for describing complicated cubic structures

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