[Pw_forum] Orthorhombic structure of Gallium

[Payam Norouzzadeh]

Dear Prof.Mehl
It seems that the authors made a mistake. Thank you for your help.
Best regards,Payam Norouzzadeh

On Wed, Feb 15, 2012 at 8:18 AM, Michael Mehl <Michael.Mehl at nrl.navy.mil>wrote:

> Well, they say it's in space group Cmca, which is  a base-centered
> orthorhombic structure.  A face-centered orthorhombic structure would be
> something like Fmmm.  If you take a look at the space group tables for Cmca
> (#64) and Fmmm (#69), you'll see a the difference right at the top of the
> page.
>
>
> On 02/14/2012 07:49 PM, Payam Norouzzadeh wrote:
>
>> Thank you Prof.Mehl.
>> In the following paper it is said that the structure is faced center (Fig
>> 1):
>>
>> Ab initio calculations of structural and electronic properties of gallium
>> solid-state phases, PHYSICAL REVIEW B VOLUME 52, NUMBER 14 1 OCTOBER 1995-II
>>
>> and that's why I've confused.
>> Best regards,Payam Norouzzadeh
>>
>>
>>
>>
>>
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>
>
>
> --
> Michael J. Mehl
> Head, Center for Computational Materials Science
> Naval Research Laboratory Code 6390
> Washington DC
>
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