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<p class=MsoNormal><span style='font-size:11.0pt'>The cif file is attached <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>data_4296667588_1_2<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_chemical_formula_sum 'N Ta'<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_symmetry_cell_setting
hexagonal<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_symmetry_space_group_name_H-M
'P-62m'<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_symmetry_Int_Tables_number
189<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_length_a 5.196<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_length_b 5.196<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_length_c 2.911<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_angle_alpha 90<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_angle_beta 90<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_angle_gamma 120<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_volume 68.1<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_cell_formula_units_Z 3<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>loop_<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_atom_site_label<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_atom_site_fract_x<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_atom_site_fract_y<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_atom_site_fract_z<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_atom_site_type_symbol<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>_atom_site_occupancy<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Ta1 0 0 0 Ta 1.0<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Ta2 0.33333334 0.6666667 0.5
Ta 1.0<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>N 0.3928 0 0 N 1.0<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Suddhasattwa Ghosh <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
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<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span
style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>
wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <b>On Behalf Of </b>Mamta
Chauhan<br>
<b>Sent:</b> Monday, November 11, 2013 11:45 AM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> [Wien] space group help<o:p></o:p></span></p>
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<p class=MsoNormal><o:p> </o:p></p>
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<p class=MsoNormal style='margin-bottom:12.0pt'>Dear Users<o:p></o:p></p>
</div>
<p class=MsoNormal style='margin-bottom:12.0pt'>I want to do calculations for
the unit cell of two atom for <b>Space group P-62m (No. 189)</b>. But I
am not aware of the <b>atomic positions for this space group</b>. <o:p></o:p></p>
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<p class=MsoNormal style='margin-bottom:12.0pt'>The material of my calculation
is <b>TaN with two atoms Ta and N</b>.<o:p></o:p></p>
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<p class=MsoNormal style='margin-bottom:12.0pt'>If anyone know the positions.
Then please help me.<o:p></o:p></p>
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<p class=MsoNormal>With thanks and regards,<o:p></o:p></p>
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<p class=MsoNormal>mamta<o:p></o:p></p>
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<hr noshade="noshade" size="1"><a></a><p class=""avgcert"" align="left" color="#000000">No virus found in this message.<br>
Checked by AVG - <a href='http://www.avg.com'>www.avg.com</a><br>
Version: 2014.0.4158 / Virus Database: 3629/6818 - Release Date: 11/07/13</p></body>
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