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Chemical sciences
PDFThe homology models of the structure formation of the ordered lithium containing alloys LixMe (Me - Sn, Pb) and the results of the structural modeling were discussed in [1, 2]. The structures of the ordered alloys - the members of the one dimension homology Li3n-2Men (n = 2 - 6, ∞) (tabl.1) and Li5n-3Men (n = 2 - 6, ∞) series (tabl.2) were obtained. The structural modeling results for allows are confirmed by known experimental dates received in Li - Sn and Li - Pb systems for the ordered allows LiSn, LiPb, Li2Sn and Li2Pb with rhombohedral structures , allows Li7Sn3, Li5Sn2 , Li8Pb3 and Li13Sn5 with structures of the monoclinic phases, and allows Li3Bi, Li3Sb and Li3Pb with cubic structures were obtained, too (tabl.1,2).
Table 1. Ordered alloys structures of the homological series Li3n-2Men
|
Number of homolog |
Composition |
Space group of symmetry (z) |
Crystallographic positions for atoms |
Relative metrical parameters of the unite cell |
|
1 |
LiMe |
R`3m (z=6) |
Li: 3(a) + 3(b), Me: 6(c) |
a = 0,67.3-1/2a0, c = 3c0 |
|
2 |
Li2 Me |
P`3m1 (z=1) |
Li: 2(d), Me: 1(a) |
a = a0 , c = c0 |
|
3 |
Li7 Me3 |
C2/m (z=4) |
Li: 7*4(i), Me: 3*4(i) |
a = 31/2a0 ,b = a0 c = 6,67c0 , b = 980 |
|
4 |
Li5 Me2 |
C2/m (z=4) |
Li: 5*4(i) Me: 2(a)+2(d)+4(i) |
a = 31/2a0 , b = a0 c = 4,67c0, b= 1000 |
|
5 |
Li13 Me5 |
C2/m (z=2) |
Li: 2(c) + 6*4(i) Me: 2(a) + 2*4(i) |
a = 31/2a0, b = a0 c = 6c0, b = 900 |
|
6 |
Li8 Me3 |
C2/m (z=2) |
Li: 4*4(i) Me: 2(a)+4(i) |
a = 31/2a0, b = a0 c = 3,67c0, b= 1040 |
|
∞ |
Li3 Me |
Fm3m (z=4) |
Li: 4(b)+8(c) Me: 4(a) |
a = 0,67(3a02 + 4c02)1/2) |
The supposition about rise of crystallographic displacement dimension from one to two or free for homolog LixMe with x more than 3,5 and for all homolog Li5n-3Men series were suggested. Since second member of series the structure formation is characterized as a 2D or 3D crystallographic displacement into initial rhombohedral structure. The character alteration of the "concentration - allow density" dependence for LixMe at x = 3,5 was confirmed this rise [3].
Table 2. Ordered alloys structures of the homological series Li5n-3Men
|
Number of homolog |
Composition |
Space group of symmetry (z) |
Crystallographic positions for atoms |
Relative metrical parameters of the unite cell |
|
1 |
Li2 Me |
P`3m1 (z=1) |
Li: 2(d), Me: 1(a) |
a = a0, c = c0 |
|
2 |
Li7 Me2 |
P`3m1 (z=1) |
Li:1(a)+2(c)+2*2(d), Me: 2(d) |
a = a0, c = 3c0 |
|
3 |
Li4 Me |
P`3m1 (z=3) |
Li: 2*2(c)+4*2(d), Me:1(a)+2(d) |
a = a0, c = 5c0 |
|
4 |
Li17 Me4 |
C2/m (z=4) |
Li: 17*4(i), Me: 2(a)+2(b)+ 2*4(i) |
a = 31/2a0, b = a0 c = 14c0, b = 900 |
|
5 |
Li22 Me5 |
C2/m (z=2) |
Li: 11*4(i), Me: 2(a)+2*4(i) |
а= 31/2a0, b = a0 c = 9c0, b = 900 |
|
6 |
Li9 Me2 |
C2/m (z=2) |
Li: 2(b)+4*4(i), Me: 2(a)+2(d) |
a = 31/2a0, b = a0 c = 7,67c0, b = 850 |
|
∞ |
Li5 Me |
P`3m1 (z=4) |
Li: 4(b)+2*8(c), Me: 4(a) |
a = a0, c = 2c0 |
It should be noted that that the method of the forming of one-dimension homological series allows was similar to method elaborated for homological series metal oxides with octahedral structures [4, 5]. Presented structure forming model of the lithium containing allows may be used when parsing mechanism of the structures forming of ordered phases in all poly-component systems with manifestation of the structural homology or included the qualities of the corresponding nano-objects set [6, 7].
2. Ivanov V.V. Homology model of the structure formation of the ordered alloys Li5N-3MeN series // Mezhdunarodnyj zhurnal prikladnyh i fundamental’nyh issledovanii. 2015. - №10 (Part 3). – С.461-463.
3. Ivanov V.V. Combinatorial modeling of the probable structures of inorganic substances. – Rostov on the Don: Izd-vo SKNC VSh, 2003. – 204 с.
4. Ivanov V.V., Ereiskaya G.P., Lutcedarskii V.A. Forecasting of the one-dimension homology series of metal oxides with octahedral structures. // Izv. AN SSSR. Neorgan. materialy. - 1990. – Т.26. - №4. – С.781-784.
5. Ivanov V.V., Ereiskaya G.P. Structural combinatorial analyze of the one-dimension homology series of the transitional metal oxides with octahedral structures.// Izv. AN SSSR. Neorgan. materialy. - 1991. – Т.27. - №12. – С. 2690-2691.
6. Ivanov V.V. Principles of the structural states forming from nano-dimensional components with account of the qualities of the corresponding nano-objects set // Uspehi sovrem. estestvoznaniya, 2014. - №.7. – С.96-99.
7. Ivanov V.V. Peculiarities of organization and the possible states of the poly-component structures included the crystal component // Uspehi sovrem. estestvoznaniya, 2014. - №.7. – С.93-95.
Ivanov V.V. HOMOLOGY MODEL OF THE STRUCTURE FORMATION OF THE ORDERED LITHIUM-CONTAINING ALLOYS . International Journal Of Applied And Fundamental Research. – 2015. – № 2 –
URL: www.science-sd.com/461-24909 (21.11.2024).