Updated 19^th December 2008 to include a fuller range data set.

Experimental Data

Click image to access powder diffraction data (.spf format)

Chemical Name

4-amino-1-hydroxybutylidene-1,1-bisphosphonic acid monosodium trihydrate

Chemical Formula

C4H12NNaO7P2 · 3H2O

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Cu Kα1 X-ray radiation
• Pre-sample germanium monochromator
• 40kV/30mA generator power
• Linear Position Sensitive Detector 6° 2θ range
• Rotating 0.5mm sample capillary
• uncrushed, unsieved sample
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected: 18/12/08
• File: ST3394.RAW. Replaces ST1182.RAW
• ×2 ranges from 2 to 45° 2θ and summed
• PSD step: 0.2°
• Count Time: 110 seconds per step
• Binning: 4 channels per point
• Data Step: 0.02°

• Indexed using ITO12
• Refined lattice parameters by Lebail fit:
• Revised indexing 15/04/05. (click here for original cell)

  	Unit Cell Lengths (Å):		a 7.274(1)	b 9.002(1)	c 19.500(1)
  	Unit Cell Angles (°):		α 90	β 100.587(2)	γ 90
  	Unit Cell Volume (Ų):		1255

• Z: 4
• System: Monoclinic
• Possible Space Group: P2₁/n

Reference

European Patent: EP0402152A2
US Patent: US20030065214A1
Acta Cryst. (1996) C52, 2198-2201, D Vega et. al.