The crystal structure of hexagonal barium titanate

Burbank, R. D.; Evans, Howard T.

doi:10.1107/s0365110x48000867

Cited by 258 publications

(107 citation statements)

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“…• in Ba(Ti0.gsPt0.12)O3 (Fischer & Tillmanns, 1981 (Burbank & Evans, 1948) and 14.023 (1)A (Fischer & Tillmanns, 1981) found in Ba(Ti,Pt)O3 compounds.…”

Section: Commentmentioning

confidence: 99%

“…The crystal structure of hexagonal BaTiO3 was originally determined by Burbank & Evans (1948), using crystals synthesized by Matthias (1948) that had a light amber colour, attributed to dissolved platinum from the reaction vessel (Dickson, Katz & Ward, 1961;Tillmanns, • Hofmeister & Baur, 1985). The hexagonal BaTiO3 structure can be obtained by the addition of small amounts of other octahedral cations (Dickson, Katz & Ward, 1961).…”

Section: Commentmentioning

confidence: 99%

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Refinement of hexagonal BaTiO3

Akimoto¹,

Gotoh²,

Oosawa³

1994

Acta Crystallogr C

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“…• in Ba(Ti0.gsPt0.12)O3 (Fischer & Tillmanns, 1981 (Burbank & Evans, 1948) and 14.023 (1)A (Fischer & Tillmanns, 1981) found in Ba(Ti,Pt)O3 compounds.…”

Section: Commentmentioning

confidence: 99%

Section: Commentmentioning

confidence: 99%

Refinement of hexagonal BaTiO3

Akimoto¹,

Gotoh²,

Oosawa³

1994

Acta Crystallogr C

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“…Erchak et al [3], reported the compound BaFe02.62 (BasFei + Fe~+ 02 1) which was thought to be a c ubic perovskite (a= 8.05 .A). Subsequently, Malinofsky and Kedesdy [4] showed that this phase is not cubic, but is actually analogous to the hexagonal polymorph of BaTi03 [5] with a = 5.68 ,, .A and c = 13.86 .A. They also reported a tetragonal perovskite polymorph, admixed with the hexagonal form, with a=3.98 .A and c=4.01 .A.…”

Section: Introductionmentioning

confidence: 96%

Synthesis of barium ferrates in oxygen

Negas¹,

Roth²

1969

J. RES. NATL. BUR. STAN. SECT. A.

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Phase relations in th e system Bao-Fe203-"FeO," at 1 atm (1 atm= 1.013 X 1()' N/m') oxygen and be twee n 800 to 1050 °C are s hown in th e vicinity (high Ba portion) of the 1:1 cation-cation ratio co mposition. A hexagonal BaTi03 -like phase, BaFe03 _X (a = 5.676A ,c= 13_ 934A), exists below %O°C. A perovs kite-lik e phase BaFeO:J_x' occurs be twee n %0 and 1050 0C. Single-phase tetragonal perovskite can be obtained at room temperature by quenching composition § with Ba-Fe ratios of 67:66 (a=3.985 A, c= 4.00S A, 1000 0c) and 27:26 (a=3.988 A, c=4.003 A, 1000 0c) from above 960°C. At the 17:16 ratio , single phase cubic perovskite(a= 3.994-A, 1000 °C), can be synthesized. Influence of te mperature , additions of barium, and use of Pt-contain ers on phase relations are discussed.

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“…So far the crystal structures of Ba2TiO4 (Bland, 1961), cubic BaTiO3 (Megaw, 1947), hexagonal BaTiO3 (Burbank & Evans, 1948), BaTi205 (Harrison, 1956), BaTi409 (Lukaszewicz, 1957) and BaTisOll (Tillmanns, 1969) have been described. Rase & Roy (1955) report another compound in this system of composition BaTi307 and two more are mentioned by Kwestroo (1960): BazTisO~z and Ba2Ti9020.…”

Section: Introductionmentioning

confidence: 99%

The crystal structure of hexabarium 17-titanate

Тиллманнс¹,

Baur²

1970

Acta Crystallogr Sect B

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* ~a-B is the torsional angle about the A-B bond, in which the other two atoms required to define the bond are those attached to either end of the bond and are in the ring in question. JOHNSON, C. K. (1965) The crystal structure and the chemical composition of Ba6Ti~7040, a new compound in the system BaO-TiO2, have been established by single-crystal methods. Hexabarium 17-titanate crystallizes in space group C2/c with a= 9"883, b= 17"08, c = 18"92/~, ,8= 98°42, Z= 4. The 2094 observed Fhe~ were used in a combination of Patterson and Fourier methods to determine the crystal structure and to refine it to R=0.06. The structure can be described as a three-dimensional framework of TiO6 coordination octahedra. The most prominent features of this framework are ribbons of octahedra of composition Ti3Ol0 which extend in the [rl0] direction at height z=0, and in the [110] direction at z= ½. The ribbons are joined by clusters of octahedra of composition TillO40. The voids in this framework are filled by the Ba atoms. An alternate way of looking at the crystal structure is to regard it as a hexagonally close-packed array of oxygen and barium atoms with the titanium atoms filling the energetically most favorable octahedral voids. The direction of packing is [103] and the stacking sequence is ,4BCAC,4BCBCABABCACABCBCAB. Ba6Til7040 is another example in the short list of titanates which can be described as close-packed arrays, while most belong to the Wadsley-Anderson type phases with one cell edge of about 4/~. The details of the atomic arrangement show appreciable distortions of the bond lengths and angles. The individual bond distances Ti-O vary from 1"77 to 2.43/~. The mean of all Ti-O bond lengths formed by one oxygen atom can be predicted by using the expression dTi_o = (1.552 + 0"2000/~, where ( is the sum of the electrostatic valences received by this oxygen atom. This is in accord with the extended electrostatic valence rule.. IntroductionCompounds in the system BaO-TiO2 have been extensively studied in recent years. So far the crystal structures of Ba2TiO4 (Bland, 1961), cubic BaTiO3 (Megaw, 1947), hexagonal BaTiO3 (Burbank & Evans, 1948), BaTi205 (Harrison, 1956), BaTi409 (Lukaszewicz, 1957) and BaTisOll (Tillmanns, 1969) have been described. Rase & Roy (1955) report another compound in this system of composition BaTi307 and two more are mentioned by Kwestroo (1960): BazTisO~z and Ba2Ti9020. The X-ray powder patterns for these three compounds are not indexed and single-crystal work has not been undertaken.

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The crystal structure of hexagonal barium titanate

Cited by 258 publications

References 2 publications

Refinement of hexagonal BaTiO3

Refinement of hexagonal BaTiO3

Synthesis of barium ferrates in oxygen

The crystal structure of hexabarium 17-titanate

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