Negative isotropic displacement parameters

2016-09-07 Thread Yashwanth Padarthi
I am performing a Multiphase refinment of five phases present in the compound.The overall isotropic displacement parameters(Biso) whatever i try to do upon refinement from its default value of 1 turns out to become negative and if i try to refine them individually even then it turns out to become

U,V,W cagliotti peak width parameters

2016-08-29 Thread Yashwanth Padarthi
Dear sir, Can i know what is the significance of U,V,W separately?what do they signify *if i have a plot of two theta Vs intensity how can one show what U,V,W is separately*? i have researched a lot but they are no particular significant meaning. i only know they depend on the instrument

atomic cordinates

2016-08-28 Thread Yashwanth Padarthi
Dear sir, In the Data Sheet Provided in any refined crystallographic data in the atomic coordinates section we are given with elements for example in Bi2 O3(96-101-0312) only for Bi & O all coordinates are present but if i take BICOVOX(96-151-6578)we have Bi,Co,V,Bi,O,O,O,O,O how to interpret

HELP

2016-08-26 Thread Yashwanth Padarthi
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