The magnetic structure of type I for the NiAs-type compounds

In this tutorial we will present the magnetic structure of type I which is the most stable structure for the transition metal compounds crystallizing in the NiAs-type structure.

We will take as example the compound MnAs.

The non-magnetic and the ferromagnetic structures are as follows:

Title:

Lattice:
Spacegroup: 194_P63/mmc_

Splitting of equivalent positions not available.
To split you must select a lattice type

Spacegroups from
Bilbao Cryst Server

Lattice parameters in
       a= b= c=
       α= β= γ=

Inequivalent Atoms: 2
Atom 1: Z= RMT=
       Pos 1: x= y= z=
       Pos 2: x= y= z=

Atom 2: Z= RMT=
       Pos 1: x= y= z=
       Pos 2: x= y= z=

Number of symmetry operations: generate

View only mode -->edit STRUCT file

The antiferromagnetic structure of type I (afmI) is as follows:

Title:

Lattice:
Spacegroup: 164_P-3m1_

Splitting of equivalent positions not available.
To split you must select a lattice type

Spacegroups from
Bilbao Cryst Server

Lattice parameters in
       a= b= c=
       α= β= γ=

Inequivalent Atoms: 3
Atom 1: Z= RMT=
       Pos 1: x= y= z=

Atom 2: Z= RMT=
       Pos 1: x= y= z=

Atom 3: Z= RMT=
       Pos 1: x= y= z=
       Pos 2: x= y= z=

Number of symmetry operations: generate

View only mode -->edit STRUCT file

We have changed the Z number of the atom Mn2 to 26 to show its place in the crystal structure.

The atom Mn2 is showed by the iron atom.We can get that by changing the Z number to 26.