New phase transition in LiKSO4

Bansal, Manisha; Deb, S. K.; Roy, A. P.; Sahni, V. C.

doi:10.1016/0038-1098(80)90034-4

Cited by 103 publications

(41 citation statements)

References 8 publications

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“…The phase transition at 180 K has been investigated by Raman scattering (Bansal, Deb, Roy & Sahni, 1980), pyro-and dielectric studies (Breczewski, Krajewski & Mr6z, 1981;Madhu & 0108-7681/85/010021-06501.50 1981), piezoelectric studies (Mr6z, Krajewski, Breczewski, Chomka & Sematowicz, 1982), X-ray diffraction (Tomaszewski & Lukaszewicz, 1982) and NMR studies (Meng-Quingan & Cao-Quijuan, 1982). An orthorhombic structure model has been proposed for the low-temperature phase (-< 180 K) by Tomaszewski & Lukaszewicz (1982).…”

Section: Introductionmentioning

confidence: 99%

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Crystal structure of KLiSO₄ as a function of temperature

Schulz¹,

Zucker²,

Frech³

1985

Acta Crystallogr Sect B

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A crystal structure investigation focused on the thermal motion of O and Li and based on single-crystal X-ray diffraction data (Mo Ka) has been carried out at 293, 398 and 568 K in space group P63 with the assumption of complete atomic order. Anharmonic temperature factors based on the Gram-Charlier expansion have been refined up to the third order for O and Li with about 600 observed Fo values (Rw = 0.017-0.024). Probability densities (O, Li) and oneparticle potentials have been calculated from the coefficients of the temperature factors. These allow the following conclusions: both oxygens show large and strongly anharmonic thermal motion as well as static disorder; the oxygens on the threefold axes [O(1)] vibrate mainly perpendicular to c with a pronounced threefold symmetry; 0(2) atoms exhibit their main vibrations parallel to c. The thermal vibrations can be explained by coupled rotational vibrations of the oxygens around the S atoms. The Li atoms develop a strong anharmonic thermal motion above 400 K with a pronounced threefold symmetry.

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Section: Introductionmentioning

confidence: 99%

“…Bansal, Deb, Roy & Sahni (1980) propose from Raman-scattering data a trigonal structure caused by cooperative reorientation of the tetrahedra. For the same phase Tomaszewski & Lukaszewicz (1982) assume a hexagonal structure to explain their X-ray diffraction data.…”

Section: Introductionmentioning

confidence: 99%

Crystal structure of KLiSO₄ as a function of temperature

Schulz¹,

Zucker²,

Frech³

1985

Acta Crystallogr Sect B

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“…In the cooling cycle the transition occurred at about 205 K while in the heating cycle it appeared at about 250 K (Bansal et al, 1980;Tomaszewski & Lukaszewicz, 1982Bhakay-Tamhane et al, 1985). Tomaszewski & Lukaszewicz (1983) found that in the cooling cycle the F2 phase is always mixed with F1 phase until it transforms to another phase (F3), and pure F2 phase can be obtained only in the heating cycle from F3 to F2.…”

Section: * Data From Wyekoff (1968)mentioning

confidence: 99%

“…Using the model proposed by Bansal et al (1980), the refinement with isotropic extinction and isotropic temperature factors gave R (F 2) = 0.237.…”

Section: * Data From Wyekoff (1968)mentioning

confidence: 99%

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Crystal structure of KLiSO4 at 200 K: a neutron diffraction study

Zhang¹,

Yan²,

Boucherle³

1988

Acta Crystallogr C

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Abstract. M r = 142.10, trigonal, P3 lc, a = 5.129, c = 8.639 A, V= 196.82 A 3, z = 2, D x = 2.397 g cm -3, 2(neutron) = 1.176 A, gc = 0.74 cm -~, T-200 K. Refinement for the ordered structure with 593 reflections with (sin0)/;t_ 0.57 A -1 gave R(F 2) = 0.055. The study has revealed merohedral twinning of *CENG DRF/Sph-MDN 85x, 38041 Grenoble CEDEX, France.0108-2701/88/040592-04503.00 the crystal about (110), with twin components in nearly equal proportion, and large thermal vibration for the oxygens. Displacing the oxygens into three disordered positions gave a somewhat better R factor.

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Reply to comments on “paramagnetic centres in X‐irradiated LiNaSO₄ single crystals”

Alybakov¹,

Bujko²,

Sharsheev³

1983

Cryst. Res. Technol.

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LEHMANN (1983) commented on our "Paramagnetic Centres in X-irradiated LiNaSO, Single Crystals" (ALYBAKOV et al. 1981). We want to reply to these comments. As additional experimental data given below show, there is no error in the presentation of our experimental results.As it was noted earlier (ALYBAKOV et al. 1981), EPR spectrum of X-irradiated LiNaSO, crystal, measured at room temperature (RT) for arbitrary crystal orientations, shows 7 lines -A, -4, B, ,2, and C. Investigation of anguIar dependences at RT shows that A, -, and B1,2 lines indeed merge into one line for H 11 c. But spectrum changes gradually when cooling. Spectra, taken for two crystal orientations during the gradual cooling from RT to liquid nitrogen temperature (LNT), are shown in Figure 1. (It should be emphasized that spectra for each orientation were measured without any change of the crystal position).Spectrum, taken at RT for H 11 e, shows two lines: high-field intensive C-line and low-A3,4* Bl,.?A 1-0 + B y Fig. 1. EPR spectra of X-irradiated LiNaSO, crystal, measured at RT (l), -100 "C (2), -150 "C (3). and LNT (4)

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New phase transition in LiKSO4

Cited by 103 publications

References 8 publications

Crystal structure of KLiSO₄ as a function of temperature

Crystal structure of KLiSO₄ as a function of temperature

Crystal structure of KLiSO4 at 200 K: a neutron diffraction study

Reply to comments on “paramagnetic centres in X‐irradiated LiNaSO₄ single crystals”

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New phase transition in LiKSO4

Cited by 103 publications

References 8 publications

Crystal structure of KLiSO4 as a function of temperature

Crystal structure of KLiSO4 as a function of temperature

Crystal structure of KLiSO4 at 200 K: a neutron diffraction study

Reply to comments on “paramagnetic centres in X‐irradiated LiNaSO4 single crystals”

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Product

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Crystal structure of KLiSO₄ as a function of temperature

Crystal structure of KLiSO₄ as a function of temperature

Reply to comments on “paramagnetic centres in X‐irradiated LiNaSO₄ single crystals”