'--------------------------------------------------------------
/* From feb10/11bmb_4734.mda processed @ 10-02-12 18:19 
# Run no. =               4734
# No. steps =             34000
# Scan time =             FEB 11, 2010 19:43:27.467166
# Sample name =           SRM 660a
# Chemical formula =      Lanthanum Hexaboride (LaB6)
# Start 2theta =          -6.0
# End 2theta =            28.0
# 2theta step=            0.001
# Time per step =         0.1
# Intensity scale =       5943.81603968
# Calibration file =      feb10/11bmb_4733.calib
# Calibrated wavelength = 0.412225
 */ 
'--------------------------------------------------------------
macro REFINE_(w) { }

r_wp  6.780
r_exp  3.463
r_p  5.558
r_wp_dash  7.755
r_p_dash  7.132
r_exp_dash  3.961
weighted_Durbin_Watson  0.466 
gof  1.958

'--------------------------------------------------------------
'continue_after_convergence
'iters 1000
'chi2_convergence_criteria 0.000001
'do_errors

'--------------------------------------------------------------


xdd "11BM_LaB6.xye"

	bkg   @  164.824654` -1.55948689` -14.8320461` -12.5443911`  9.62308541` -8.06067131`
	2.88523419` -3.15250186`  0.709335992` -1.53101246` -0.163671057` -0.7274103` -1.15639196`
	start_X   5.
	finish_X  50.
	Zero_Error(@, 0.00013`)
	LP_Factor(90)
	auto_sparse_CG
	Rp 217.5
	Rs 217.5

	lam
		ymin_on_ymax  0.0005
		la  1 lo  0.412225 
	x_calculation_step 0.001

	Simple_Axial_Model(, 1.08973`)

  STR(Pm-3m)
                                             
    site La  x   0.         y  0.      z  0.     occ La 1.0  beq b1  0.4865`
    site B   x  @  0.19831` y  =1/2;   z  =1/2;  occ B  1.0  beq b2  0.2366`

		CS_L(@, 921.18399`)
	        CS_G(@, 808.78672`)
		Strain_G(@, 0.02274`)
		Strain_L(@, 0.00163`)
		

		phase_name "LaB6 SRM 660a"
		
prm a_latt  4.15687` 'SRM value 4.15696 

      a  =a_latt;                                                                
      b  =a_latt;
      c  =a_latt;
      al   90.000 
      be   90.00
      ga   90.000   

		scale  @  0.0007604777`