Published October 15, 1983 | Version v1
Journal article Metadata-only

Powder neutron diffraction study of the perovskites CaTiO3 and CaZrO3

Creators

  • 1. Technische Hogeschool Twente, Enschede (Netherlands)

Description

CaTiO3: Msub(r)=136.0, orthorhombic, Pcmn, a=5.3829(3), b=7.6453(4), c=5.4458(3) A, V=224.12(4) A3, Z=4, Dsub(x)=4.031 g cm-3, Rsub(profile)=4.52% for 54 reflections. CaZrO3: Msub(r)=179.3, orthorhombic, Pcmn, a=5.5912(1), b=8.0171(2), c=5.7616(1) A, V=258.26(2) A3, Z=4, Dsub(x)=4.611 g cm-3, Rsub(profile)=4.01% for 55 reflections. Both compounds: lambda(neutrons)=2.5907(3) A, T=300 K. The structures consist of slightly deformed BO6 octahedra (B=Ti, Zr), which are rotated with respect to their positions in the ideal perovskite structure. These rotations reduce the coordination number of the Ca2+ ions from 12 (ideally) to 8. (Auth.)

Additional details

Publishing Information

Journal Title
Acta Crystallogr., Sect. C
Journal Volume
39
Journal Issue
10
Series
Acta Crystallogr., Sect. C.
Journal Page Range
1323-1325
ISSN
0108-2701

INIS

Country of Publication
Denmark
Country of Input or Organization
Denmark
INIS RN
15011346
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BOND ANGLE; COORDINATION NUMBER; INTERATOMIC DISTANCES; LATTICE PARAMETERS; MEDIUM TEMPERATURE; NEUTRON DIFFRACTION; ORTHORHOMBIC LATTICES; PEROVSKITE; POWDERS; ZIRCONIUM OXIDES
Descriptors DEC
ALKALINE EARTH METAL COMPOUNDS; CALCIUM COMPOUNDS; CALCIUM OXIDES; CHALCOGENIDES; COHERENT SCATTERING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DIFFRACTION; DISTANCE; MINERALS; OXIDES; OXYGEN COMPOUNDS; SCATTERING; TITANIUM COMPOUNDS; TITANIUM OXIDES; TRANSITION ELEMENT COMPOUNDS; ZIRCONIUM COMPOUNDS