The crystal chemistry and the compressibility of silicate-carbonate minerals: Spurrite, galuskinite and tilleyite
The crystal chemistry and the compressibility of silicate-carbonate minerals: Spurrite, galuskinite and tilleyite
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硅酸盐-碳酸盐矿物的晶体化学和可压缩性：硫锌矿、铅锌矿和铁闪矿
DOI：
10.1016/j.gsf.2015.02.001
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发表时间：
2015-09
影响因子：
8.9
通讯作者：
Shan Qin
中科院分区：
文献类型：
--
作者：
Jing Gao;Xiang Wu;Shan Qin
Spurrite Ca5(SiO4)2(CO3), galuskinite Ca7(SiO4)3(CO3) and tilleyite Ca5(Si2O7)(CO3)2are three representative minerals formed in high-temperature skarns in the silicate-carbonate system. Their crystal chemistry and compressibility have been investigated using first-principles theoretical simulation. These minerals are structurally described as the combination of interwoven layers constituted by Ca polyhedra and Si polyhedra, with the [CO3] triangles being “separators” to depolymerize the Si–Ca aggregations. With the effect of pressure, the Si polyhedra and the [CO3] groups present rigid behaviors whereas the Ca–O bonds undergo considerable compression. Several pressure-induced abnormities in the lattice parameter variations have been identified, revealing the existence of subtle changes in the compression process. Isothermal equations of state parameters are obtained:K0= 71.1(1) GPa,V0= 1003.31(4) Å3andK0′ = 5.4(1) for spurrite;K0= 75.0(1) GPa,V0= 1360.30(7) Å3,K0′ = 5.4(1) for galuskinite, andK0= 69.7(3) GPa,V0= 1168.90(2) Å3andK0′ = 4.0(1) for tilleyite. These compounds have similarK0values to calcite CaCO3but are much more compressible than larniteβ-Ca2SiO4. Generally for these minerals, the bulk modulus exhibits a negative correlation with the [CO3] proportion. The structural and compressional properties of silicate-carbonate minerals compared with silicates and carbonates are expected to be a guide for further investigations on Si polyhedra and [CO3] coexistent phases.
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影响因子：
2.7
作者：
S. Nockolds
通讯作者：
S. Nockolds
影响因子：
0.8
作者：
A. Bobrov;A. Bobrov;Y. Litvin
通讯作者：
A. Bobrov;A. Bobrov;Y. Litvin
DOI：
10.1107/s0365110x60001096
发表时间：
1960-06
期刊：
Acta Crystallographica
影响因子：
--
作者：
J. Smith;I. Karle;H. Hauptman;J. Karle
通讯作者：
J. Smith;I. Karle;H. Hauptman;J. Karle
影响因子：
2.7
作者：
M. J. Rubenach;C. Cuff
通讯作者：
M. J. Rubenach;C. Cuff
DOI：
10.1107/s0365110x53000028
发表时间：
1953
期刊：
Acta Crystallographica
影响因子：
--
作者：
J. Smith
通讯作者：
J. Smith