Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2

被引：42
作者：
Dove, MT
Craig, MS
Keen, DA
Marshall, WG
Redfern, SAT
Trachenko, KO
Tucker, MG
机构：
[1] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England
[2] Rutherford Appleton Lab, ISIS Facil, CLRC, Didcot OX11 0QX, Oxon, England
来源：
MINERALOGICAL MAGAZINE | 2000年 / 64卷 / 03期
关键词：
cristobalite; high-pressure; neutron diffraction; phase transitions;
D O I：
10.1180/002646100549436
中图分类号：
P57 [矿物学];
学科分类号：
070901 ;
摘要：
The crystal structure of the high-pressure phase-II of cristobalite has been solved by neutron diffraction (space group P2(1)/c, a = 8.3780(11) Angstrom, b = 4.6018(6) Angstrom, c = 9.0568(13) Angstrom, beta = 124.949(7)degrees, at P = 3.5 GPa). This phase corresponds to a distortion of the high-temperature cubic beta-phase, rather than of the ambient temperature and pressure tetragonal alpha-phase.
引用
收藏
页码：569 / 576
页数：8
相关论文
共 20 条
  • [1] [Anonymous], 86748 LAUR LOS AL NA
  • [2] Artacho E, 1999, PHYS STATUS SOLIDI B, V215, P809, DOI 10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO
  • [3] 2-0
  • [4] NEUTRON POWDER DIFFRACTION ABOVE 10-GPA
    BESSON, JM
    NELMES, RJ
    HAMEL, G
    LOVEDAY, JS
    WEILL, G
    HULL, S
    [J]. PHYSICA B, 1992, 180 : 907 - 910
  • [5] DOWNS RT, 1994, AM MINERAL, V79, P9
  • [6] GULP: A computer program for the symmetry-adapted simulation of solids
    Gale, JD
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (04): : 629 - 637
  • [7] Hammonds KD, 1996, AM MINERAL, V81, P1057
  • [8] NELMES RJ, 1993, T AM CRYSTALLOGR ASS, V29, P19
  • [9] Synchrotron x-ray-diffraction study of alpha-cristobalite at high pressure and high temperature
    Onodera, A
    Suito, K
    Namba, J
    Taniguchi, Y
    Horikawa, T
    Miyoshi, M
    Shimomura, O
    Kikegawa, T
    [J]. HIGH PRESSURE RESEARCH, 1997, 15 (05) : 307 - 319
  • [10] Self-consistent order-N density-functional calculations for very large systems
    Ordejon, P
    Artacho, E
    Soler, JM
    [J]. PHYSICAL REVIEW B, 1996, 53 (16): : 10441 - 10444
12