<div dir="ltr"><div><div><div><div><div><div><div><div>Thank you pieper for your answer<br><br></div>I am studying the magnetic order of type III with Ni1,Ni2 up and Ni3, Ni4 down according the figure included.<br><br></div>This is the procedure that I adopted:<br><br></div>-supercell 1x1x1 P to make the 4 atoms Ni indepedent a<br><br>-  I make the Ni1 and Ni2 to be the atom Ni1 and the atoms Ni3 and Ni4 to be the atom Ni2.<br></div>- sgroup to search a new space group<br><br></div>- I got the new strycture with monoclinic space group but with orthorhombic lattice parameters.<br><br></div>I want to know if this new structure is true or not.<br><br><br></div>The non magnetic structure is as follows:<br><br>NiS-MnP                       <wbr>                              <wbr>                   <br>P   LATTICE,NONEQUIV.ATOMS:  2 62_Pnma                       <wbr>                  <br>MODE OF CALC=RELA unit=ang                      <wbr>                               <br> 10.056514  6.692230 10.722761 90.000000 90.000000 90.000000<br>ATOM  -1: X=0.00500000 Y=0.25000000 Z=0.20000000                  <wbr>             <br>          MULT= 4          ISPLIT= 8                             <wbr>              <br>      -1: X=0.99500000 Y=0.75000000 Z=0.80000000                  <wbr>             <br>      -1: X=0.50500000 Y=0.25000000 Z=0.30000000                  <wbr>             <br>      -1: X=0.49500000 Y=0.75000000 Z=0.70000000                  <wbr>             <br>Ni         NPT=  781  R0=0.00005000 RMT= 2.08        Z: 28.0                   <br>LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000                     <wbr>        <br>                     0.0000000 0.0000000 1.0000000                     <wbr>        <br>                     1.0000000 0.0000000 0.0000000                     <wbr>        <br>ATOM  -2: X=0.20000000 Y=0.25000000 Z=0.57000000                  <wbr>             <br>          MULT= 4          ISPLIT= 8                             <wbr>              <br>      -2: X=0.80000000 Y=0.75000000 Z=0.43000000                  <wbr>             <br>      -2: X=0.70000000 Y=0.25000000 Z=0.93000000                  <wbr>             <br>      -2: X=0.30000000 Y=0.75000000 Z=0.07000000                  <wbr>             <br>S          NPT=  781  R0=0.00010000 RMT= 1.70        Z: 16.0                   <br>LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000                     <wbr>        <br>                     0.0000000 0.0000000 1.0000000                     <wbr>        <br>                     1.0000000 0.0000000 0.0000000                     <wbr>        <br>   8      NUMBER OF SYMMETRY OPERATIONS <br><br></div>Best regards</div>