Strain Analysis

This routine carries out a strain analysis based on an algorithm described by Y.Ohashi & C.W. Burnham (1973). Amer. Mineralogist, 58, 843-849.
See also: R.M. Hazen & L.W. Finger (1982). Comparative Crystal Chemistry, Wiley & Sons, Chapter #5.

The required data are the cell data for for two cells at different temperatures, optionally with su's.

Example input file: (strain.spf)

TITL LOW ALBITE at 26 and 1127 Degrees C
CELA 8.141 12.79 7.157 94.225 116.597 87.772 26.0
CELB 8.278 12.863 7.180 92.780 116.045 87.718 1127
CSUA 0.007 0.009 0.004 0.058 0.048 0.052
CSUB 0.006 0.009 0.003 0.067 0.037 0.055

Output on strain.lis:

Titl: LOW ALBITE UNIT-CELL STRAIN   26 TO 1127 C (STEWART + VON LIMBACH, 1967)    

Cell Parameters
===============
Before:     8.14100    12.79000     7.15700    94.22500   116.59700    87.77200   at     26.00 Deg. 
After:      8.27800    12.86300     7.18000    92.78000   116.04500    87.71800   at   1127.00 Deg. 

Standard Deviations For Cell 1:

            0.00700     0.00900     0.00400     0.05800     0.04800     0.05200
Standard Deviations For Cell 2:

            0.00600     0.00900     0.00300     0.06700     0.03700     0.05500

Angles Between XYZ and ABC Systems               Strain Tensor Based on XYZ
=====================================================================================
         +A       +B       +C

+X     26.60    90.00    90.00            0.2149069E-01  0.7216585E-02  0.1418302E-02
+Y     89.66     4.22    90.00            0.7216585E-02  0.7261276E-02  0.1260034E-01
+Z    116.60    94.22     0.00            0.1418302E-02  0.1260034E-01  0.3213644E-02

Strain Ellipsoid
================
            Strain  Unit Strain            Angle with            Rho       Phi    Proj.X   Proj.Y   Hemisphere
                                       +X       +Y       +Z
Axis-1  0.2663E-01   0.2419E-04      36.88    59.54    71.27   71.27     32.36     60.5     38.4        +
Axis-2  0.1332E-01   0.1210E-04     125.89    56.90    53.24   53.24    137.04    -36.7     34.2        +
Axis-3 -0.7989E-02  -0.7256E-05      82.65   131.84    42.78   42.78    -79.14      7.4    -38.5        +

Crystallographic Axes
=====================
+A-Axis                              26.60    89.66   116.60  116.60      0.38     61.8      0.4        -
+B-Axis                              90.00     4.22    94.22   94.22     90.00      0.0     92.9        -
+C-Axis                              90.00    90.00     0.00    0.00      0.00      0.0      0.0        +

            Strain     (Error) Unit Strain     (Error)                          Angle With
==============================================================================================================
                                                             +A  (Error)        +B  (Error)        +C  (Error)
Axis-1  0.2663E-01( 0.125E-02)  0.2419E-04( 0.113E-05)     54.94(  3.50)      61.19(  2.44)      71.27(  2.31)
Axis-2  0.1332E-01( 0.902E-03)  0.1210E-04( 0.820E-06)    142.09(  3.57)      59.97(  2.62)      53.24(  1.97)
Axis-3 -0.7989E-02( 0.100E-02) -0.7256E-05( 0.912E-06)    102.60(  1.56)     135.99(  1.39)      42.78(  1.52)

Volume  0.3197E-01( 0.176E-02)  0.2903E-04( 0.160E-05)

05-Jun-2008 A.L.Spek