Correction of integrated Bragg intensities for anisotropic thermal scattering

Merisalo, M.; Kurittu, J.

doi:10.1107/s0021889878013084

Cited by 34 publications

(22 citation statements)

References 9 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The results were found to be in good agreement with those obtained by using the program of Merisalo & Kurittu (1978), which is based on essentially the same formalism. The main difference between the programs is that instead of using the SVA Merisalo & Kurittu (1978) convert the three-dimensional integral to an integral over the plane surfaces of the scan volume (Walker & Chipman, 1970) and there is further simplification if normal background subtraction techniques are used. The unit direction vectors necessary for each reflection were calculated using a program written by Dr G.J.…”

Section: Application and Resultssupporting

confidence: 81%

“…The TDS corrections for CdS showed a very similar trend to that exhibited in Fig. 1, with the maximum correction being approximately 28% [at (sin 0/2) 2= 1.63], using the program of Merisalo & Kurittu (1978). The curves in Fig.…”

Section: Application and Resultssupporting

confidence: 54%

“…* This value is obtained provided that TDS from the shell with appropriate volume surrounding the sphere of the SVA would be subtracted by a normal background procedure (Harada & Sakata, 1973). The use of this factor contrasts with the approach of some other authors (for example, Merisalo & Kurittu, 1978). …”

Section: ~1 = Z Z Tijqiqj I Jmentioning

confidence: 61%

“…The values in Table 1 do not show Merisalo & This Kurittu (1978) program Full data set 1.474(4) 1.466(4) 30 < 0 < 55 ~ 1.477(7) 1.466 (7) any large discrepancies. Hamilton's R factor favoured the corrections of Merisalo & Kurittu (1978) rather than this program (0.94 and 0-97%, respectively) for the full data set. The value of B with no TDS corrections included was 1-368(4),~z for the entire data set and 1.369(8)A 2 for the reduced data set.…”

Section: Application and Resultsmentioning

confidence: 99%

“…Several programs are available for such corrections (for example, Rouse & Cooper, 1969;Walker & Chipman, 1970;Stevens, 1974;Merisalo & Kurittu, 1978). Two of the present authors (MS and JH) have developed a generalized formula Sakata & Harada, 1976) for the TDS correction, which is appropriate for crystals belonging to any of the seven crystallographic systems, if elastic constants are available.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

G-TDSCOR: one-phonon TDS corrections for measured integrated Bragg intensities

Sakata¹,

Stevenson²,

Harada³

1983

J Appl Cryst

View full text Add to dashboard Cite

(2) As compared with Frevel's method, the least-squares method proposed in the present work for intensity matching can give better results and provide more information which may be helpful for further discrimination of the candidates.References DISMORE, P. F. (1976). Adv. X-ray Anal. 20, 113-123. FREVEL, U K. (1965). Anal. Chem. 37, 471-482. FREVEL, U K. (1966). Anal. Chem. 38, 1914-1920. FREVEL, U K. (1976. Adv. X-ray Anal. 20, 15-25. FREVEL, L. K. & ADAMS, C. E. (1968). Anal. Chem. 40, 133540, -134040, . JENKINS, R. (1976. Adv. X-ray Anal. 20, 125-137. JOHNSON, G. G. (1975 designed for general use and as such had not been well documented. One of the present authors (AWS) has recently made minor modifications and corrections to the original version (such changes do not affect the results previously derived) and documentation has been included. The new version of the program is more convenient for general use and a listing is available upon request to either university to which the authors belong. The main difference from the other, above-mentioned, programs is the use of the spherical-volume approximation (SVA) in the evaluation of the volume integral with respect to the wave vector. In the SVA, the parallelepiped swept out by the counter in the course of measurements around a reciprocal-lattice point is replaced by a sphere of appropriate volume, which enables us to reduce the triple integral appearing in the calculation of TDS to a surface integral, in this paper the main features of the program in its present form are given.

show abstract

Section: Application and Resultssupporting

confidence: 81%

Section: Application and Resultssupporting

confidence: 54%

Section: ~1 = Z Z Tijqiqj I Jmentioning

confidence: 61%

Section: Application and Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

G-TDSCOR: one-phonon TDS corrections for measured integrated Bragg intensities

Sakata¹,

Stevenson²,

Harada³

1983

J Appl Cryst

View full text Add to dashboard Cite

show abstract

Structure and thermal motion parameters of tetragonal ZnP2 between 300 and 740 K

Шелег

Peljo

Suortti

1981

Phys. Stat. Sol. (a)

View full text Add to dashboard Cite

The lattice constants and thermal motion parameters of tetragonal ZnP2 are measured between 300 and 740 K using X‐ray diffraction on single crystals. Absolute measurements of integrated intensities show that the crystals are nearly perfect. At 300 K the lattice constants are a = (5.07250 ± 0.00003) Å and c = (18.5529 ± 0.0001) Å. The coefficients of linear expansion are αa = 6.50 × 10−6 K−1, αc = 6.25 × 10−6 K−1 below 380 K and αa = 7.90 × 10−6 K−1, αc = 6.95 × 10−6 K−1 above this temperature. Between 377 and 382 K there is a region of hysteresis where Δc = 0.0003 Å. The crystal structure stays tetragonal at least up to 740 K, and the lattice instability near 380 K is suggested to arise from excitation of a soft mode. The average thermal motion parameters at 300 K are B [00.1] = (0.95 × 0.1) Å2 (perpendicular to the basal plane) and B = [11.0] = (0.7 × 0.1) Å2 (in the basal plane). The increase with temperature is linear; ΔB [00.1]/ΔT = 3 × 10−3 xA2 K−1, ΔB [11.0]/ΔT = 2.5 × 10−3 Å2 K−1; up to T = 550 K, where the effects of anharmonicity become noticeable.

show abstract

Anharmonic Effects in the Thermal Diffuse Scattering of X‐Rays

Tsarkov¹,

Tsirelson²

1991

Physica Status Solidi (b)

View full text Add to dashboard Cite

The thermal diffuse scattering (TDS) of X-rays in the anharmonic one-phonon and harmonic two-phonon approximations is considered. The complete expression for the one-phonon intensity of X-rays is derived by perturbation theory and presented for a polyatomic crystal in the high-temperature limit. The method of evaluating the corrections of the X-rays intensities for the thermal diffuse scattering is given and the importance taking into account the anharmonic effects in the one-phonon scattering for KZnF,, CsCl, and YBa,Cu,O, crystals at room temperature is discussed. Anharmonic TDS-effects achieve considerable magnitudes for soft (acoustic) anharmonic crystals as CsCI.PaCCMOTpeHO TenJIOBOe AH@@y3HOe PaCCeXHAe PeHTreHOBCKHX JIyYeg B aHrapMOHHYeCKOM OnHO-(POHOHHOM I4 rapMOHHYeCKOM ABYX(POHOHH0M n p~6 n~~e~n f l x .c IIOMOUIbK) TeOpUU BO3MYlLleHHG

show abstract

Correction of integrated Bragg intensities for anisotropic thermal scattering

Cited by 34 publications

References 9 publications

G-TDSCOR: one-phonon TDS corrections for measured integrated Bragg intensities

G-TDSCOR: one-phonon TDS corrections for measured integrated Bragg intensities

Structure and thermal motion parameters of tetragonal ZnP2 between 300 and 740 K

Anharmonic Effects in the Thermal Diffuse Scattering of X‐Rays

Contact Info

Product

Resources

About