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Incommensurately modulated crystal structure of flamite - Natural analogue of -Ca2SiO4. / Rashchenko, Sergey V.; Seryotkin, Yurii V.; Sokol, Ella V. et al.

In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 75, 12.2019, p. 1137-1143.

Research output: Contribution to journal › Article › peer-review

Harvard

Rashchenko, SV, Seryotkin, YV, Sokol, EV & Kokh, SN 2019, 'Incommensurately modulated crystal structure of flamite - Natural analogue of -Ca2SiO4', Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. 75, pp. 1137-1143. https://doi.org/10.1107/S2052520619013623

APA

Rashchenko, S. V., Seryotkin, Y. V., Sokol, E. V., & Kokh, S. N. (2019). Incommensurately modulated crystal structure of flamite - Natural analogue of -Ca2SiO4. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 75, 1137-1143. https://doi.org/10.1107/S2052520619013623

Vancouver

Rashchenko SV, Seryotkin YV, Sokol EV, Kokh SN. Incommensurately modulated crystal structure of flamite - Natural analogue of -Ca2SiO4. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2019 Dec;75:1137-1143. doi: 10.1107/S2052520619013623

Author

Rashchenko, Sergey V. ; Seryotkin, Yurii V. ; Sokol, Ella V. et al. / Incommensurately modulated crystal structure of flamite - Natural analogue of -Ca2SiO4. In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2019 ; Vol. 75. pp. 1137-1143.

BibTeX

@article{210a35af70564693aca5902969827fa2,
title = "Incommensurately modulated crystal structure of flamite - Natural analogue of -Ca2SiO4",
abstract = "Crystal structures of unquenchable high-temperature polymorphs of Ca2SiO4, important in cement chemistry, have eluded single-crystal X-ray analysis. However, the problem may be addressed by studying chemically stabilized Ca2SiO4 polymorphs at ambient temperature. Here an incommensurately modulated crystal structure of flamite [Pnma(0β0)00s, q = 0.2728 (2)b∗, a = 6.8588 (2) {\AA}, b = 5.4301 (2) {\AA}, c = 9.4052 (3) {\AA}] is described. It is a mineral analogue of orthorhombic -Ca2SiO4 (stable between 1160 and 1425°C), naturally stabilized by substitution with phosphorus. The incommensurate modulation results from wave-like displacement of cation sites accompanied by tilting of (Si,P)O 4 tetrahedra and variation of the Na/(Ca + Na + K) ratio along the modulation period. The studied sample from Hatrurim Basin (Negev Desert, Israel) with composition (Ca 1.75 K 0.12 Na 0.12) 1.99 (Si 0.74 P 0.26) 1.00 O 4 also demonstrates pseudomerohedral cyclic twinning around the a axis, which results from pseudohexagonal topology of the crystal structure and complicates the indexing of X-ray diffraction data.",
keywords = "aperiodic structure, calcium orthosilicate, combustion metamorphism, flamite, incommensurate modulation, PHASE, SOLID-SOLUTION, NA, TEMPERATURE, ROCKS, DICALCIUM",
author = "Rashchenko, {Sergey V.} and Seryotkin, {Yurii V.} and Sokol, {Ella V.} and Kokh, {Svetlana N.}",
year = "2019",
month = dec,
doi = "10.1107/S2052520619013623",
language = "English",
volume = "75",
pages = "1137--1143",
journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",
issn = "2052-5192",
publisher = "Wiley-Blackwell",

}

RIS

TY - JOUR

T1 - Incommensurately modulated crystal structure of flamite - Natural analogue of -Ca2SiO4

AU - Rashchenko, Sergey V.

AU - Seryotkin, Yurii V.

AU - Sokol, Ella V.

AU - Kokh, Svetlana N.

PY - 2019/12

Y1 - 2019/12

N2 - Crystal structures of unquenchable high-temperature polymorphs of Ca2SiO4, important in cement chemistry, have eluded single-crystal X-ray analysis. However, the problem may be addressed by studying chemically stabilized Ca2SiO4 polymorphs at ambient temperature. Here an incommensurately modulated crystal structure of flamite [Pnma(0β0)00s, q = 0.2728 (2)b∗, a = 6.8588 (2) Å, b = 5.4301 (2) Å, c = 9.4052 (3) Å] is described. It is a mineral analogue of orthorhombic -Ca2SiO4 (stable between 1160 and 1425°C), naturally stabilized by substitution with phosphorus. The incommensurate modulation results from wave-like displacement of cation sites accompanied by tilting of (Si,P)O 4 tetrahedra and variation of the Na/(Ca + Na + K) ratio along the modulation period. The studied sample from Hatrurim Basin (Negev Desert, Israel) with composition (Ca 1.75 K 0.12 Na 0.12) 1.99 (Si 0.74 P 0.26) 1.00 O 4 also demonstrates pseudomerohedral cyclic twinning around the a axis, which results from pseudohexagonal topology of the crystal structure and complicates the indexing of X-ray diffraction data.

AB - Crystal structures of unquenchable high-temperature polymorphs of Ca2SiO4, important in cement chemistry, have eluded single-crystal X-ray analysis. However, the problem may be addressed by studying chemically stabilized Ca2SiO4 polymorphs at ambient temperature. Here an incommensurately modulated crystal structure of flamite [Pnma(0β0)00s, q = 0.2728 (2)b∗, a = 6.8588 (2) Å, b = 5.4301 (2) Å, c = 9.4052 (3) Å] is described. It is a mineral analogue of orthorhombic -Ca2SiO4 (stable between 1160 and 1425°C), naturally stabilized by substitution with phosphorus. The incommensurate modulation results from wave-like displacement of cation sites accompanied by tilting of (Si,P)O 4 tetrahedra and variation of the Na/(Ca + Na + K) ratio along the modulation period. The studied sample from Hatrurim Basin (Negev Desert, Israel) with composition (Ca 1.75 K 0.12 Na 0.12) 1.99 (Si 0.74 P 0.26) 1.00 O 4 also demonstrates pseudomerohedral cyclic twinning around the a axis, which results from pseudohexagonal topology of the crystal structure and complicates the indexing of X-ray diffraction data.

KW - aperiodic structure

KW - calcium orthosilicate

KW - combustion metamorphism

KW - flamite

KW - incommensurate modulation

KW - PHASE

KW - SOLID-SOLUTION

KW - NA

KW - TEMPERATURE

KW - ROCKS

KW - DICALCIUM

UR - http://www.scopus.com/inward/record.url?scp=85076550739&partnerID=8YFLogxK

U2 - 10.1107/S2052520619013623

DO - 10.1107/S2052520619013623

M3 - Article

C2 - 32830693

AN - SCOPUS:85076550739

VL - 75

SP - 1137

EP - 1143

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

SN - 2052-5192

ER -

ID: 22997673