Synthesis, crystal structure and thermal behavior of Ba3B6Si2O16

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Synthesis, crystal structure and thermal behavior of Ba3B6Si2O16. / Krzhizhanovskaya, M.; Gorelova, L.; Bubnova, R.; Filatov, S.

In: Zeitschrift fur Kristallographie, Vol. 228, No. 10, 2013, p. 544-549.

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

BibTeX

@article{503f8fbcc29f4649b39c0df9c09d9b83,

title = "Synthesis, crystal structure and thermal behavior of Ba3B6Si2O16",

abstract = "Single crystals of Ba3B6Si2O16 were obtained by cooling a melt of stoichiometric composition. The crystal structure was determined by direct methods from X-ray single crystal diffractometry data and refined to R1 = 0.066. It is triclinic, P (1) over bar, a = 5.038(1), b = 7.657(1), c = 8.526(1) angstrom, alpha = 77.68(1), beta = 77.88(1), gamma = 86.32(1)degrees. The structure consists of a layered silicoborate anion formed by four crystallographically independent polyhedra with boron and silicon distributed in different proportion over the polyhedra. Ideally, there are one BO3 triangle, two BO4 tetrahedra and one SiO4 tetrahedron forming the independent anionic unit. Silicoborate layers are located parallel to the (010) plane. The Ba(1) and Ba(2) atoms are located in two non-equivalent sites with 8-fold and 12-fold coordination, respectively. The Ba(2) atoms form Ba-O layers parallel to (010) interchanged with anionic layers. Ba-O layers are connected via Ba-O columns build up by Ba(1)O-8 polyhedra along [10",

author = "M. Krzhizhanovskaya and L. Gorelova and R. Bubnova and S. Filatov",

year = "2013",

doi = "10.1524/zkri.2013.1643",

language = "English",

volume = "228",

pages = "544--549",

journal = "Zeitschfrift fur Kristallographie",

issn = "0044-2968",

publisher = "De Gruyter",

number = "10",

}

RIS

TY - JOUR

T1 - Synthesis, crystal structure and thermal behavior of Ba3B6Si2O16

AU - Krzhizhanovskaya, M.

AU - Gorelova, L.

AU - Bubnova, R.

AU - Filatov, S.

PY - 2013

Y1 - 2013

N2 - Single crystals of Ba3B6Si2O16 were obtained by cooling a melt of stoichiometric composition. The crystal structure was determined by direct methods from X-ray single crystal diffractometry data and refined to R1 = 0.066. It is triclinic, P (1) over bar, a = 5.038(1), b = 7.657(1), c = 8.526(1) angstrom, alpha = 77.68(1), beta = 77.88(1), gamma = 86.32(1)degrees. The structure consists of a layered silicoborate anion formed by four crystallographically independent polyhedra with boron and silicon distributed in different proportion over the polyhedra. Ideally, there are one BO3 triangle, two BO4 tetrahedra and one SiO4 tetrahedron forming the independent anionic unit. Silicoborate layers are located parallel to the (010) plane. The Ba(1) and Ba(2) atoms are located in two non-equivalent sites with 8-fold and 12-fold coordination, respectively. The Ba(2) atoms form Ba-O layers parallel to (010) interchanged with anionic layers. Ba-O layers are connected via Ba-O columns build up by Ba(1)O-8 polyhedra along [10

AB - Single crystals of Ba3B6Si2O16 were obtained by cooling a melt of stoichiometric composition. The crystal structure was determined by direct methods from X-ray single crystal diffractometry data and refined to R1 = 0.066. It is triclinic, P (1) over bar, a = 5.038(1), b = 7.657(1), c = 8.526(1) angstrom, alpha = 77.68(1), beta = 77.88(1), gamma = 86.32(1)degrees. The structure consists of a layered silicoborate anion formed by four crystallographically independent polyhedra with boron and silicon distributed in different proportion over the polyhedra. Ideally, there are one BO3 triangle, two BO4 tetrahedra and one SiO4 tetrahedron forming the independent anionic unit. Silicoborate layers are located parallel to the (010) plane. The Ba(1) and Ba(2) atoms are located in two non-equivalent sites with 8-fold and 12-fold coordination, respectively. The Ba(2) atoms form Ba-O layers parallel to (010) interchanged with anionic layers. Ba-O layers are connected via Ba-O columns build up by Ba(1)O-8 polyhedra along [10

U2 - 10.1524/zkri.2013.1643

DO - 10.1524/zkri.2013.1643

M3 - Article

VL - 228

SP - 544

EP - 549

JO - Zeitschfrift fur Kristallographie

JF - Zeitschfrift fur Kristallographie

SN - 0044-2968

IS - 10

ER -

ID: 7404564