PREDICTION OF MINERAL CRYSTAL-STRUCTURES

被引:28
作者
PARKER, SC
机构
关键词
D O I
10.1016/0167-2738(83)90014-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:179 / 186
页数:8
相关论文
共 32 条
[1]   MADELUNG ENERGIES AND CATION DISTRIBUTIONS IN OLIVINE-TYPE STRUCTURES [J].
ALBERTI, A ;
VEZZALINI, G .
ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1978, 147 (3-4) :167-175
[2]   STRAIGHT SI-O-SI BRIDGING BONDS DO EXIST IN SILICATES AND SILICON DIOXIDE POLYMORPHS [J].
BAUR, WH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1980, 36 (OCT) :2198-2202
[3]  
BAUR WH, 1972, AM MINERAL, V57, P709
[4]  
Catlow C R, 1982, COMPUTER SIMULATION
[5]   SHELL-MODEL CALCULATIONS OF ENERGIES OF FORMATION OF POINT-DEFECTS IN ALKALINE-EARTH FLUORIDES [J].
CATLOW, CRA ;
NORGETT, MJ .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1973, 6 (08) :1325-1339
[6]   SIMULATING SILICATE STRUCTURES AND THE STRUCTURAL CHEMISTRY OF PYROXENOIDS [J].
CATLOW, CRA ;
THOMAS, JM ;
PARKER, SC ;
JEFFERSON, DA .
NATURE, 1982, 295 (5851) :658-662
[7]  
CATLOW CRA, UNPUB
[8]  
CATLOW CRA, 1976, UKAEA AERE M2936 REP
[9]   EFFECTIVE IONIC CHARGE IN CRYSTALS [J].
COCHRAN, W .
NATURE, 1961, 191 (478) :60-&
[10]  
DEMPSEY MJ, 1974, PHYSICS CHEM MINERAL