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,y,z,+1	{ m₁₀₀ \| 0 }
3	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
4	-x,-y,-z,-1	{ -1' \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x+y,y,z,+1	m₁₀₀
3	x-y,-y,-z,-1	2'₁₀₀
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.00000	0.00000	0.00000	1
As1	As	0.33333	0.66667	0.26670	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.62310	m_x,0,0	3.60000	0.00000	0.00000
2	0.66666	0.33333	0.37690	-m_x,0,0	-3.60000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.26670
2	0.66666	0.33333	0.73330

Reference: P. Das, N.S. Sangeetha, A. Pandey, Z.A. Benson, T.W. Heitmann, D.C. Johnston, A.I. Goldman and A. Kreyssig, Journal of Physics: Condensed Matter (2016) 29 035802.
DOI: 10.1088/0953-8984/29/3/035802
Atomic positions from: ICSD #259371

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 118(2) K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
4.29(1) 4.29 7.24(1) 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m (#12.60) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-a-2b,a,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [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\|
Mn1	Mn	0.33333	0.66667	0.62310	2	m_x,0,0	3.6(2)	0.0	0.0	3.60

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.62310	m_x,0,0	3.60000	0.00000	0.00000
2	0.66666	0.33333	0.37690	-m_x,0,0	-3.60000	0.00000	0.00000

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM3-	2	2	special	primary	1

Comments:

NSD
Atomic positions, except lattice parameters, from a determination at room temperature retrieved from the ICSD

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction as primary

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

SrMn2As2 (#0.482)

SrMn₂As₂ (#0.482)