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Crystal structure of new compound (Rb,K)2Cu3(P2O7)2. / Krivovichev, S. V.; Chernyat’eva, A. P.

In: Glass Physics and Chemistry, Vol. 42, No. 4, 07.2016, p. 327-336.

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Krivovichev, S. V. ; Chernyat’eva, A. P. / Crystal structure of new compound (Rb,K)2Cu3(P2O7)2. In: Glass Physics and Chemistry. 2016 ; Vol. 42, No. 4. pp. 327-336.

BibTeX

@article{38f150e9481c4d5086788197ad5d1ffe,
title = "Crystal structure of new compound (Rb,K)2Cu3(P2O7)2",
abstract = "A new compound of (Rb,K)(2)Cu-3(P2O7)(2) is obtained by high-temperature reactions from a mixture of RbNO3, KNO3, Cu(NO3)(2), and (NH4)(4)P2O7. The crystal structure was solved by direct methods and refined to R (1) = 0.056 for 5022 independent reflections. The compound belongs to a rhombic crystal system, P2(1)2(1)2(1), Z = 8, a = 9.9410(7) , b = 13.4754(6) , c = 18.6353 (3) , and R = 0.056. The basis of the structure is a complex copper-phosphate skeleton of the composition of [Cu-3(P2O7)(2)](2-), which can be regarded as consisting of two types of heteropolyhedral layers parallel to the (001) plane. The layers are alternated with each other, forming a frame, in the cavities of which the positions of alkali cations are located, statistically populated with K+ and Rb+ ions. Based on the refined populations of the positions of alkali cations, an exact chemical formula of the compound can be written as Rb1.28K0.72Cu3(P2O7)(2). The compound is the most complex among those known to this day of the composition of A(2) B-I(3) (II)(P2O7)(2) (A = Li, Na, K, Rb, or Cs; B = Ni, Cu, or Zn).",
keywords = "copper diphosphate, crystal structure, structural topology, information complexity, LOW-TEMPERATURE MODIFICATION, DISTORTION THEOREM, COMPLEXITY, MINERALS, DIPHOSPHATE, PHOSPHATES, OCTAHEDRA",
author = "Krivovichev, {S. V.} and Chernyat{\textquoteright}eva, {A. P.}",
year = "2016",
month = jul,
doi = "10.1134/S1087659616040088",
language = "Английский",
volume = "42",
pages = "327--336",
journal = "Glass Physics and Chemistry",
issn = "1087-6596",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "4",

}

RIS

TY - JOUR

T1 - Crystal structure of new compound (Rb,K)2Cu3(P2O7)2

AU - Krivovichev, S. V.

AU - Chernyat’eva, A. P.

PY - 2016/7

Y1 - 2016/7

N2 - A new compound of (Rb,K)(2)Cu-3(P2O7)(2) is obtained by high-temperature reactions from a mixture of RbNO3, KNO3, Cu(NO3)(2), and (NH4)(4)P2O7. The crystal structure was solved by direct methods and refined to R (1) = 0.056 for 5022 independent reflections. The compound belongs to a rhombic crystal system, P2(1)2(1)2(1), Z = 8, a = 9.9410(7) , b = 13.4754(6) , c = 18.6353 (3) , and R = 0.056. The basis of the structure is a complex copper-phosphate skeleton of the composition of [Cu-3(P2O7)(2)](2-), which can be regarded as consisting of two types of heteropolyhedral layers parallel to the (001) plane. The layers are alternated with each other, forming a frame, in the cavities of which the positions of alkali cations are located, statistically populated with K+ and Rb+ ions. Based on the refined populations of the positions of alkali cations, an exact chemical formula of the compound can be written as Rb1.28K0.72Cu3(P2O7)(2). The compound is the most complex among those known to this day of the composition of A(2) B-I(3) (II)(P2O7)(2) (A = Li, Na, K, Rb, or Cs; B = Ni, Cu, or Zn).

AB - A new compound of (Rb,K)(2)Cu-3(P2O7)(2) is obtained by high-temperature reactions from a mixture of RbNO3, KNO3, Cu(NO3)(2), and (NH4)(4)P2O7. The crystal structure was solved by direct methods and refined to R (1) = 0.056 for 5022 independent reflections. The compound belongs to a rhombic crystal system, P2(1)2(1)2(1), Z = 8, a = 9.9410(7) , b = 13.4754(6) , c = 18.6353 (3) , and R = 0.056. The basis of the structure is a complex copper-phosphate skeleton of the composition of [Cu-3(P2O7)(2)](2-), which can be regarded as consisting of two types of heteropolyhedral layers parallel to the (001) plane. The layers are alternated with each other, forming a frame, in the cavities of which the positions of alkali cations are located, statistically populated with K+ and Rb+ ions. Based on the refined populations of the positions of alkali cations, an exact chemical formula of the compound can be written as Rb1.28K0.72Cu3(P2O7)(2). The compound is the most complex among those known to this day of the composition of A(2) B-I(3) (II)(P2O7)(2) (A = Li, Na, K, Rb, or Cs; B = Ni, Cu, or Zn).

KW - copper diphosphate

KW - crystal structure

KW - structural topology

KW - information complexity

KW - LOW-TEMPERATURE MODIFICATION

KW - DISTORTION THEOREM

KW - COMPLEXITY

KW - MINERALS

KW - DIPHOSPHATE

KW - PHOSPHATES

KW - OCTAHEDRA

UR - http://www.scopus.com/inward/record.url?scp=84981289637&partnerID=8YFLogxK

U2 - 10.1134/S1087659616040088

DO - 10.1134/S1087659616040088

M3 - статья

AN - SCOPUS:84981289637

VL - 42

SP - 327

EP - 336

JO - Glass Physics and Chemistry

JF - Glass Physics and Chemistry

SN - 1087-6596

IS - 4

ER -

ID: 9185012