Combined powder neutron and X-ray diffraction study of charge and orbital order in Bi0.75Sr0.25MnO3

R J  Goff; J P  Attfield; Paul Attfield

doi:10.1016/j.jssc.2006.01.050

Combined powder neutron and X-ray diffraction study of charge and orbital order in Bi0.75Sr0.25MnO3

R J Goff
, J P Attfield
, Paul Attfield

Research output: Contribution to journal › Article › peer-review

Abstract

The room temperature structure of Bi0.75Sr0.25MnO3 has been fitted to high-resolution synchrotron X-ray and time-of-flight neutron powder diffraction data. Constrained structural models were refined using a (1/2 00) Pn11 supercell (a = 11.0286(2) angstrom, b = 7.7351 (1) angstrom, c = 5.53419(9) angstrom, and alpha = 89.894( 1)degrees) of the underlying Pinna perovskite structure. The best-fit model evidences a 3:1 Mn3+/ Mn4+ charge ordering with only 30% of the ideal separation of bond valence sums. An ordered intergrowth of antiferro-orbitally ordered (LaMnO3 type) and charge and ferro-orbitally ordered (YBaMn2O6 type) blocks is observed. Off-centre Bi/Sr displacements are ferroelectrically ordered in this model. (C) 2006 Elsevier Inc. All rights reserved.

Original language	English
Pages (from-to)	1369-1374
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	179
Issue number	5
DOIs	https://doi.org/10.1016/j.jssc.2006.01.050
Publication status	Published - May 2006

Keywords / Materials (for Non-textual outputs)

charge order
orbital order
manganite perovskites
X-ray diffraction
neutron diffraction
ROOM-TEMPERATURE
COLOSSAL MAGNETORESISTANCE
PEROVSKITE
MANGANITES
BI0.5SR0.5MNO3
BI1-XSRXMNO3
STRIPES
BIMNO3
CA

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10.1016/j.jssc.2006.01.050

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@article{4024158a86d64d498573325409b6f9f0,

title = "Combined powder neutron and X-ray diffraction study of charge and orbital order in Bi0.75Sr0.25MnO3",

abstract = "The room temperature structure of Bi0.75Sr0.25MnO3 has been fitted to high-resolution synchrotron X-ray and time-of-flight neutron powder diffraction data. Constrained structural models were refined using a (1/2 00) Pn11 supercell (a = 11.0286(2) angstrom, b = 7.7351 (1) angstrom, c = 5.53419(9) angstrom, and alpha = 89.894( 1)degrees) of the underlying Pinna perovskite structure. The best-fit model evidences a 3:1 Mn3+/ Mn4+ charge ordering with only 30\% of the ideal separation of bond valence sums. An ordered intergrowth of antiferro-orbitally ordered (LaMnO3 type) and charge and ferro-orbitally ordered (YBaMn2O6 type) blocks is observed. Off-centre Bi/Sr displacements are ferroelectrically ordered in this model. (C) 2006 Elsevier Inc. All rights reserved.",

keywords = "charge order, orbital order, manganite perovskites, X-ray diffraction, neutron diffraction, ROOM-TEMPERATURE, COLOSSAL MAGNETORESISTANCE, PEROVSKITE, MANGANITES, BI0.5SR0.5MNO3, BI1-XSRXMNO3, STRIPES, BIMNO3, CA",

author = "Goff, \{R J\} and Attfield, \{J P\} and Paul Attfield",

year = "2006",

month = may,

doi = "10.1016/j.jssc.2006.01.050",

language = "English",

volume = "179",

pages = "1369--1374",

journal = "Journal of Solid State Chemistry",

issn = "1095-726X",

publisher = "Academic Press",

number = "5",

}

TY - JOUR

T1 - Combined powder neutron and X-ray diffraction study of charge and orbital order in Bi0.75Sr0.25MnO3

AU - Goff, R J

AU - Attfield, J P

AU - Attfield, Paul

PY - 2006/5

Y1 - 2006/5

N2 - The room temperature structure of Bi0.75Sr0.25MnO3 has been fitted to high-resolution synchrotron X-ray and time-of-flight neutron powder diffraction data. Constrained structural models were refined using a (1/2 00) Pn11 supercell (a = 11.0286(2) angstrom, b = 7.7351 (1) angstrom, c = 5.53419(9) angstrom, and alpha = 89.894( 1)degrees) of the underlying Pinna perovskite structure. The best-fit model evidences a 3:1 Mn3+/ Mn4+ charge ordering with only 30% of the ideal separation of bond valence sums. An ordered intergrowth of antiferro-orbitally ordered (LaMnO3 type) and charge and ferro-orbitally ordered (YBaMn2O6 type) blocks is observed. Off-centre Bi/Sr displacements are ferroelectrically ordered in this model. (C) 2006 Elsevier Inc. All rights reserved.

AB - The room temperature structure of Bi0.75Sr0.25MnO3 has been fitted to high-resolution synchrotron X-ray and time-of-flight neutron powder diffraction data. Constrained structural models were refined using a (1/2 00) Pn11 supercell (a = 11.0286(2) angstrom, b = 7.7351 (1) angstrom, c = 5.53419(9) angstrom, and alpha = 89.894( 1)degrees) of the underlying Pinna perovskite structure. The best-fit model evidences a 3:1 Mn3+/ Mn4+ charge ordering with only 30% of the ideal separation of bond valence sums. An ordered intergrowth of antiferro-orbitally ordered (LaMnO3 type) and charge and ferro-orbitally ordered (YBaMn2O6 type) blocks is observed. Off-centre Bi/Sr displacements are ferroelectrically ordered in this model. (C) 2006 Elsevier Inc. All rights reserved.

KW - charge order

KW - orbital order

KW - manganite perovskites

KW - X-ray diffraction

KW - neutron diffraction

KW - ROOM-TEMPERATURE

KW - COLOSSAL MAGNETORESISTANCE

KW - PEROVSKITE

KW - MANGANITES

KW - BI0.5SR0.5MNO3

KW - BI1-XSRXMNO3

KW - STRIPES

KW - BIMNO3

KW - CA

U2 - 10.1016/j.jssc.2006.01.050

DO - 10.1016/j.jssc.2006.01.050

M3 - Article

SN - 1095-726X

VL - 179

SP - 1369

EP - 1374

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 5

ER -

Combined powder neutron and X-ray diffraction study of charge and orbital order in Bi0.75Sr0.25MnO3

Abstract

Keywords / Materials (for Non-textual outputs)

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