MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
4	-x,y,z,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
7	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
8	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	x,-y,-z,-1	2'₁₀₀
4	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Si1	Si	0.00000	0.32600	0.25000	4
Si2	Si	0.00000	0.46500	0.25000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.10100	0.25000	0,m_y,m_z	0.00000	0.00000	1.80000
2	0.00000	0.89900	0.75000	0,m_y,m_z	0.00000	0.00000	1.80000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.60100	0.25000	0,m_y,m_z	0.00000	0.00000	1.80000
4	0.50000	0.39900	0.75000	0,m_y,m_z	0.00000	0.00000	1.80000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.25000	0,m_y,m_z	0.00000	1.62000	1.62000
2	0.00000	0.25000	0.75000	0,m_y,m_z	0.00000	1.62000	1.62000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.25000	0.25000	0,m_y,m_z	0.00000	1.62000	1.62000
4	0.50000	0.75000	0.75000	0,m_y,m_z	0.00000	1.62000	1.62000

Atom	x	y	z
1	0.00000	0.32600	0.25000
2	0.00000	0.67400	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.82600	0.25000
4	0.50000	0.17400	0.75000

Atom	x	y	z
1	0.00000	0.46500	0.25000
2	0.00000	0.53500	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.96500	0.25000
4	0.50000	0.03500	0.75000

Reference: B. Malaman, G. Venturini, L. Pontonnier, D. Fruchart, Journal of Magnetism and Magnetic Materials (1990) 86 349 - 362
DOI: 10.1016/0304-8853(90)90143-E
Atomic positions from: ICSD #643055

Parent space group (paramagnetic phase): Cmcm (#63)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 40 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
4.07200 17.48700 4.01700 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m' (#12.62) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,a,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.00000	0.10100	0.25000	4	0,m_y,m_z	0.0	0.0	1.80(7)	1.80
Mn1	Mn	0.00000	0.75000	0.25000	4	0,m_y,m_z	0.0	1.62(25)	1.62(25)	2.29

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.10100	0.25000	0,m_y,m_z	0.00000	0.00000	1.80000
2	0.00000	0.89900	0.75000	0,m_y,m_z	0.00000	0.00000	1.80000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.60100	0.25000	0,m_y,m_z	0.00000	0.00000	1.80000
4	0.50000	0.39900	0.75000	0,m_y,m_z	0.00000	0.00000	1.80000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.25000	0,m_y,m_z	0.00000	1.62000	1.62000
2	0.00000	0.25000	0.75000	0,m_y,m_z	0.00000	1.62000	1.62000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.25000	0.25000	0,m_y,m_z	0.00000	1.62000	1.62000
4	0.50000	0.75000	0.75000	0,m_y,m_z	0.00000	1.62000	1.62000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4+	1	1	primary	2
mGM2+	1	1	primary	2

Comments:

NPD
Position structure from a determination at 300K.
Above 40K up to 441K a different phase with only Mn moments FM ordered along b is reported.
FM on the plane bc

Comments (symmetry):

1k magnetic structure
two irreps involved in the magnetic ordering

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus

MAGNDATA: A Collection of magnetic structures with portable cif-type files

NdMnSi2 (#0.773)

NdMnSi₂ (#0.773)