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High-pressure phase transitions in tetrakis(trimethylsilyl)silane Si[Si(CH 3 ) 3 ] 4

Wunschel, Markus ; Dinnebier, Robert E. ; Carlson, Stefan ; [et al.]

Informa UK Limited ; 2003

In: High Pressure Research Vol. 23, No. 4 ( 2003-12), p. 425-437

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In: High Pressure Research, Informa UK Limited, Vol. 23, No. 4 ( 2003-12), p. 425-437

Type of Medium: Online Resource

ISSN: 0895-7959 , 1477-2299

URL: Article

DOI: 10.1080/0895795031000114377

Language: English

Publisher: Informa UK Limited

Publication Date: 2003

detail.hit.zdb_id: 2082764-7

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Bulk modulus and non-uniform compression of Nb 3 Te 4 and In x Nb 3 Te 4 ( x 〈 1) channel compounds

Wunschel, Markus ; Dinnebier, Robert E. ; Carlson, Stefan ; [et al.]

International Union of Crystallography (IUCr) ; 2001

In: Acta Crystallographica Section B Structural Science Vol. 57, No. 5 ( 2001-10-01), p. 665-672

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In: Acta Crystallographica Section B Structural Science, International Union of Crystallography (IUCr), Vol. 57, No. 5 ( 2001-10-01), p. 665-672

Abstract: The crystal structures of Nb 3 Te 4 and In x Nb 3 Te 4 [ x = 0.539 (4)] are reported for a series of pressures between 0 and 40 GPa. Both compounds crystallize in space group P 6 3 / m with a = b = 10.671 and c = 3.6468 Å for Nb 3 Te 4 , and a = b = 10.677 and c = 3.6566 Å for In x Nb 3 Te 4 at ambient conditions. Phase transitions were not observed. High-pressure X-ray powder diffraction was measured using a diamond anvil cell and synchrotron radiation. Full Rietveld refinements provided the values of the lattice parameters and the values of the atomic coordinates at each pressure. The bulk modulus is found as K 0 = 70 (5) GPa for Nb 3 Te 4 and as K 0 = 73 (4) GPa for In x Nb 3 Te 4 . The analysis of the pressure dependences of the detailed crystal structures shows that the compression along c involves the folding up of the quasi-one-dimensional zigzag chains of Nb. The compression perpendicular to c is entirely due to the reduction of the diameter of the channels. The presence of intercalated In atoms is found to have hardly any influence on the compression behaviour up to 40 GPa.

Type of Medium: Online Resource

ISSN: 0108-7681

URL: Article

DOI: 10.1107/S0108768101011685

DOI: 10.1107/S0108768101011685/ck0007sup1.cif

DOI: 10.1107/S0108768101011685/ck0007innbtesup2.rtv

DOI: 10.1107/S0108768101011685/ck0007sup3.txt

DOI: 10.1107/S0108768101011685/ck0007sup4.txt

DOI: 10.1107/S0108768101011685/ck0007sup5.txt

DOI: 10.1107/S0108768101011685/ck0007sup6.txt

Language: Unknown

Publisher: International Union of Crystallography (IUCr)

Publication Date: 2001

detail.hit.zdb_id: 2020841-8

SSG: 13

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Shear Strain in Nd 0.5 Ca 0.5 MnO 3 at High Pressures

Arulraj, Anthony ; Dinnebier, Robert E. ; Carlson, Stefan ; [et al.]

American Physical Society (APS) ; 2005

In: Physical Review Letters Vol. 94, No. 16 ( 2005-4-28)

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In: Physical Review Letters, American Physical Society (APS), Vol. 94, No. 16 ( 2005-4-28)

Type of Medium: Online Resource

ISSN: 0031-9007 , 1079-7114

URL: Article

DOI: 10.1103/PhysRevLett.94.165504

RVK:

UA 1000

RVK:

UA 6520

Language: English

Publisher: American Physical Society (APS)

Publication Date: 2005

detail.hit.zdb_id: 1472655-5

detail.hit.zdb_id: 208853-8

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Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals

Wunschel, Markus ; Dinnebier, Robert E. ; Carlson, Stefan ; [et al.]

International Union of Crystallography (IUCr) ; 2003

In: Acta Crystallographica Section B Structural Science Vol. 59, No. 1 ( 2003-02-01), p. 60-71

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In: Acta Crystallographica Section B Structural Science, International Union of Crystallography (IUCr), Vol. 59, No. 1 ( 2003-02-01), p. 60-71

Abstract: The crystal structures of tert -butyl-tris(trimethylsilyl)silane, Si[C(CH_3)_3]_1[Si(CH_3)_3] _3 (Bu1), and di- tert -butyl-bis(trimethylsilyl)silane, Si[C(CH_3)_3]_2[Si(CH_3)_3] _2 (Bu2), at room temperature and at 105 K have been determined by X-ray powder diffraction; the high-pressure behavior for pressures between 0 and 5 GPa is reported. The room-temperature structures have cubic Fm\bar{3}m symmetry ( Z = 4) with a = 13.2645 (2) Å, V = 2333.87 (4) Å 3 for Bu1 and a = 12.9673 (1) Å, V = 2180.46 (3) Å 3 for Bu2. The molecules are arranged in a cubic close packing (c.c.p.) and exhibit at least 48-fold orientational disorder. Upon cooling both compounds undergo a first-order phase transition at temperatures T_c = 230 (5) K (Bu1) and T_c = 250 (5) K (Bu2) into monoclinic structures with space group P2_1/n. The structures at 105 K have a = 17.317 (1), b = 15.598 (1), c = 16.385 (1) Å, \gamma = 109.477 (4)°, V = 4172.7 (8) Å 3 and Z = 8 for Bu1and a = 17.0089 (9), b = 15.3159 (8), c = 15.9325 (8) Å, \gamma = 110.343 (3)°, V = 3891.7 (5) Å 3 and Z = 8 for Bu2. The severe disorder of the room-temperature phase is significantly decreased and only a two- or threefold rotational disorder of the molecules remains at 105 K. First-order phase transitions have been observed at pressures of 0.13–0.28 GPa for Bu1 and 0.20–0.24 GPa for Bu2. The high-pressure structures are isostructural to the low-temperature structures. The pressure dependencies of the unit-cell volumes were fitted with Vinet equations of state and the bulk moduli were obtained. At still higher pressures further anomalies in the pressure dependencies of the lattice parameters were observed. These anomalies are explained as additional disorder–order phase transitions.

Type of Medium: Online Resource

ISSN: 0108-7681

URL: Article

DOI: 10.1107/S0108768102021791

DOI: 10.1107/S0108768102021791/os0101sup1.cif

DOI: 10.1107/S0108768102021791/os01011sup2.hkl

DOI: 10.1107/S0108768102021791/os01012at105sup3.hkl

DOI: 10.1107/S0108768102021791/os01012at295sup4.hkl

Language: Unknown

Publisher: International Union of Crystallography (IUCr)

Publication Date: 2003

detail.hit.zdb_id: 2020841-8

SSG: 13

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Strain effects in perovskite manganites

Arulraj, Anthony ; Dinnebier, Robert E. ; Carlson, Stefan ; [et al.]

Elsevier BV ; 2007

In: Progress in Solid State Chemistry Vol. 35, No. 2-4 ( 2007-1), p. 367-377

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In: Progress in Solid State Chemistry, Elsevier BV, Vol. 35, No. 2-4 ( 2007-1), p. 367-377

Type of Medium: Online Resource

ISSN: 0079-6786

URL: Article

DOI: 10.1016/j.progsolidstchem.2007.01.034

Language: English

Publisher: Elsevier BV

Publication Date: 2007

detail.hit.zdb_id: 2013358-3

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Bulk modulus and high-pressure crystal structures of tetrakis(trimethylsilyl)methane C[Si(CH 3 ) 3 ] 4 determined by X-ray powder diffraction

Dinnebier, Robert E. ; Carlson, Stefan ; van Smaalen, Sander

International Union of Crystallography (IUCr) ; 2000

In: Acta Crystallographica Section B Structural Science Vol. 56, No. 2 ( 2000-04-01), p. 310-316

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In: Acta Crystallographica Section B Structural Science, International Union of Crystallography (IUCr), Vol. 56, No. 2 ( 2000-04-01), p. 310-316

Abstract: The pressure dependence of the crystal structure of cubic tetrakis(trimethylsilyl)methane C[Si(CH 3 ) 3 ] 4 (TC) ( P 〈 16.0 GPa, T = 298 K) is reported using high-resolution angle-dispersive X-ray powder diffraction. The compound has crystal structures with the molecules in a cubic-close-packed (c.c.p.) arrangement. It shows three phase transitions in the measured pressure range. At ambient conditions, TC has space group Fm{\bar 3}m ( Z = 4) with a = 12.8902 (2) Å, V = 2141.8 (1) Å 3 (phase I). Between 0 and 0.13 GPa TC exhibits a first-order phase transition into a structure with space group Pa{\bar 3} (phase II). A second first-order phase transition occurs between 0.2 and 0.28 GPa into a structure with space group P 2 1 3 (phase III). Under non-hydrostatic pressure conditions ( P 〉 10 GPa) a transformation is observed into a c.c.p. structure that is different from the face-centred-cubic structure at ambient conditions. A non-linear compression behaviour is observed, which could be described by a Vinet relation in the range 0.28–4.8 GPa. The extrapolated bulk modulus of the high-pressure phase III was determined to be K 0 = 7.1 (8) GPa. The crystal structures in phase III are refined against X-ray powder data measured at several pressures between 0.49 and 4.8 GPa, and the molecules are found to be fully ordered. This is interpreted to result from steric interactions between neighbouring molecules, as shown by analysing the pressure dependence of intramolecular angles, torsion angles and intermolecular distances. Except for their cell dimensions, phases I, II and III are found to be isostructural to the corresponding phases at low temperatures.

Type of Medium: Online Resource

ISSN: 0108-7681

URL: Article

DOI: 10.1107/S0108768199014044

DOI: 10.1107/S0108768199014044/se0299sup1.txt

DOI: 10.1107/S0108768199014044/se0299sup2.txt

DOI: 10.1107/S0108768199014044/se0299sup3.txt

DOI: 10.1107/S0108768199014044/se0299sup4.txt

DOI: 10.1107/S0108768199014044/se0299sup5.txt

DOI: 10.1107/S0108768199014044/se0299sup6.txt

DOI: 10.1107/S0108768199014044/se0299sup7.txt

DOI: 10.1107/S0108768199014044/se0299sup8.txt

DOI: 10.1107/S0108768199014044/se0299sup9.txt

DOI: 10.1107/S0108768199014044/se0299sup10.txt

DOI: 10.1107/S0108768199014044/se0299sup11.txt

DOI: 10.1107/S0108768199014044/se0299sup12.txt

DOI: 10.1107/S0108768199014044/se0299sup13.txt

DOI: 10.1107/S0108768199014044/se0299sup14.txt

DOI: 10.1107/S0108768199014044/se0299sup15.txt

DOI: 10.1107/S0108768199014044/se0299sup16.txt

DOI: 10.1107/S0108768199014044/se0299sup17.txt

DOI: 10.1107/S0108768199014044/se0299sup18.txt

DOI: 10.1107/S0108768199014044/se0299sup19.txt

DOI: 10.1107/S0108768199014044/se0299sup20.txt

DOI: 10.1107/S0108768199014044/se0299sup21.txt

DOI: 10.1107/S0108768199014044/se0299sup22.txt

DOI: 10.1107/S0108768199014044/se0299sup23.txt

DOI: 10.1107/S0108768199014044/se0299sup24.txt

DOI: 10.1107/S0108768199014044/se0299sup25.txt

Language: Unknown

Publisher: International Union of Crystallography (IUCr)

Publication Date: 2000

detail.hit.zdb_id: 2020841-8

SSG: 13

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