The crystal structure of antimony(III) sulfobromide, SbSBr

Christofferson, G. D.; McCullough, Jason

doi:10.1107/s0365110x59000044

Cited by 40 publications

(4 citation statements)

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“…Nassau, Shiever, and Kowalchik (1970), on the other hand, considered the Sb -S and Sb-I bonds in SbSI as predominantly covalent. Also, Christofferson and McCullough (1959), in discussing the structure of SbSBr, suggest that the Sb-S bonds be taken as covalent, but the Br atoms should be considered in the ionic state. In no case, however, are there given satisfactory reasons for these assumptions.…”

Section: Description Of the Structure And Discussionmentioning

confidence: 99%

The crystal structure of the paraelectric bismuth thiochloride, BiSCl

Voutsas¹,

Rentzeperis²

1980

Zeitschrift Für Kristallographie - Crystalline Materials

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The crystal structure of BiSCl has been redetermined with threedimensional intensities, measured on a computer-controlled Philips PW1100 single-crystal diffractometer (628 independent reflexions). The structure does not deviate in principle from that proposed by Dönges (1950), but it shows interesting details. The cell constants, obtained by least-squares calculations from direct 3-value measurements on the diffractometer, are: a = 7.7508(16), b = 9.9920(5), c = 3.9955(5) Ä, Ζ = 4; the space group is Pnam. The positional and vibrational parameters, with anisotropic temperature factors, were refined by full-matrix, least-squares calculations to a final R = 0.036.Each Bi atom is seven-coordinated by three S atoms at distances 2.605 -2.711 Ä and four chlorine atoms at distances 2.927-3.367 Ä. The four CI atoms form a square parallel to c, while the three S atoms form an isosceles triangle perpendicular to (001), with its base parallel to c. The four CI and two of the S atoms are at the vertices of a triangular prism parallel to c and of height equal to c. The third S atom is at the apex of a pyramid whose base is one of the S 2 C1 2 faces of the triangular prism. The composite coordination polyhedron (prism-pyramid) is linked to a symmetry-equivalent polyhedron by a common S -S edge of the corresponding pyramids. This characteristic double-polyhedron system is repeated along the c axis, thus forming an infinite double chain of composition {Bi 2 S 4 Cl 8 }". The chain is further linked to each of four similar chains by a common (CI -Cl)" row parallel to c. This system of chains explains very well the needle-like growth of the crystals along c.

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Section: Description Of the Structure And Discussionmentioning

confidence: 99%

The crystal structure of the paraelectric bismuth thiochloride, BiSCl

Voutsas¹,

Rentzeperis²

1980

Zeitschrift Für Kristallographie - Crystalline Materials

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“…For SbSBr crystal, the values of constants b 11 , b 22 , b 33 and atomic coordinates R 0α and crystal lattice parameters a, b and c are provided in Ref. [8,9]. s x , s y , s z , s were calculated using a special computer routine.…”

Section: Investigation Of Potential Energy Of Sb Atoms In Anharmonic mentioning

confidence: 99%

“…The crystal structure of SbSBr was investigated by Cristofferson et al [8] and Inushima [9] at temperatures 294 K, 150 K, 60 K, 30 K and 11 K. SbSBr and SbSI has an orthorhombic structure and has four SbSBr molecules (12 atoms) in a unit cell. Each molecule of SbSBr and SbSI extends chain -like along c(z)-axis.…”

Section: Introductionmentioning

confidence: 99%

Piezoelectric Properties of Ferroelectric SbSBr Crystal

2013

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The contribution of soft mode at Sb atom's site to the temperature dependences of Sb atom's equilibrium position's difference z 33 (T) has been studied theoretically, when SbSBr crystal is deformed in direction of c(z)-axis in paraelectric and in ferroelectric phases. The largest change of z 33 (T) occurs in the ferroelectric phase near the transition temperature T C = 21 K. The temperature dependence of Sb atom's equilibrium position's displacements z 33 is very similar to the temperature dependence of experimental piezoelectric modulus of SbSBr crystal in ferroelectric phase.

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“…For SbSBr crystal, the values of constants a, b, c, b 11 , b 22 and b 33 are provided in [10,13], and s x , s y , s z and s were calculated using a special computer routine.…”

Section: Phase Transitions 65mentioning

confidence: 99%

The nature of anharmonicity and phase transition in SbSBr crystal

Audzijonis¹,

Žigas²,

Kvedaravičius³

et al. 2010

Phase Transitions

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The ferroelectric crystal structure of SbSBr is composed of [Sb(S, Br)] 1 chains parallel to the [001] axis. In paraelectric phase, the crystal structure is disordered. The theoretical investigation of dependence of potential energy V P (z) of Sb atoms on amplitudes of B 1u vibration symmetry coordinates along c(z)-axis have showed that each atom is shifted from the xy mirror plane by Dz up or down along [001]. The theoretical investigation of the average potential energy V P ðzÞ of all Sb atoms in unit cell revealed that in paraelectric phase in region of phase transition V P ðzÞ has double-well shape. This strong anharmonicity of V P ðzÞ is created by interaction between phonons.

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The crystal structure of antimony(III) sulfobromide, SbSBr

Cited by 40 publications

References 0 publications

The crystal structure of the paraelectric bismuth thiochloride, BiSCl

The crystal structure of the paraelectric bismuth thiochloride, BiSCl

Piezoelectric Properties of Ferroelectric SbSBr Crystal

The nature of anharmonicity and phase transition in SbSBr crystal

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