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+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
4	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
5	-x,-y,-z,-1	{ -1' \| 0 }
6	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
7	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
8	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,-1	-1'
6	-x,y,z,-1	m'₁₀₀
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Sb1	Sb	0.17468	0.25000	0.77005	4
Sb2	Sb	0.49905	0.25000	0.27819	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.38637	0.25000	0.76977	m_x,0,m_z	4.40000	3.80000
2	0.88637	0.25000	0.73023	m_x,0,-m_z	4.40000	-3.80000
3	0.61363	0.75000	0.23023	-m_x,0,-m_z	-4.40000	-3.80000
4	0.11363	0.75000	0.26977	-m_x,0,m_z	-4.40000	3.80000

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.24970	0.25000	0.27005	m_x,0,m_z	4.50000
2	0.74970	0.25000	0.22995	m_x,0,-m_z	4.50000
3	0.75030	0.75000	0.72995	-m_x,0,-m_z	-4.50000
4	0.25030	0.75000	0.77005	-m_x,0,m_z	-4.50000

Atom	x	y	z
1	0.17468	0.25000	0.77005
2	0.67468	0.25000	0.72995
3	0.82532	0.75000	0.22995
4	0.32532	0.75000	0.27005

Atom	x	y	z
1	0.49905	0.25000	0.27819
2	0.99905	0.25000	0.22181
3	0.50095	0.75000	0.72181
4	0.00095	0.75000	0.77819

Reference: D. Gong, S. Huang, F. Ye, X. Gui, J. Zhang, W. Xie and R. Jin, Physical Review B (2020) 101 224422.
DOI: 10.1103/physrevb.101.224422
Atomic positions from: Yi et al., PHYSICAL REVIEW B 96, 205103

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 21 K
Experiment Temperature: 7 K

Lattice parameters of the magnetic unit cell:
22.5726 4.3850 4.4095 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a' (#62.449) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm' (8.5.28)
    [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\|
Eu1	Eu	0.38637	0.25000	0.76977	4	m_x,0,m_z	4.4(8)	0.0	3.8(9)	5.81
Mn1	Mn	0.24970	0.25000	0.27005	4	m_x,0,m_z	4.5(6)	0.0	0.0	4.50

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.38637	0.25000	0.76977	m_x,0,m_z	4.40000	3.80000
2	0.88637	0.25000	0.73023	m_x,0,-m_z	4.40000	-3.80000
3	0.61363	0.75000	0.23023	-m_x,0,-m_z	-4.40000	-3.80000
4	0.11363	0.75000	0.26977	-m_x,0,m_z	-4.40000	3.80000

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.24970	0.25000	0.27005	m_x,0,m_z	4.50000
2	0.74970	0.25000	0.22995	m_x,0,-m_z	4.50000
3	0.75030	0.75000	0.72995	-m_x,0,-m_z	-4.50000
4	0.25030	0.75000	0.77005	-m_x,0,m_z	-4.50000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	4

Comments:

NSD
Above 21K up to 346K another phase with only Mn magnetically ordered (see #0.423)
Positional structure not reported. Here it is taken from the reference indicated above the one reported at 295K.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary
See entry #0.422 for another rather different model of this phase wit a lower MSG and two irreps involved

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

EuMnSb2 (#0.424)

EuMnSb₂ (#0.424)