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Crystal structure of new compound (Rb,K)2Cu3(P2O7)2. / Krivovichev, S. V.; Chernyat’eva, A. P.
в: Glass Physics and Chemistry, Том 42, № 4, 07.2016, стр. 327-336.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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