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	{ 2₀₀₁ \| 1/2 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
5	x+1/2,-y,-z,-1	{ 2'₁₀₀ \| 1/2 0 0 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Pd1	Pd	0.25000	0.14600	0.10540	4
Pd2	Pd	0.25000	0.58710	0.41450	4
Si1	Si	0.25000	0.11230	0.42660	4
Si2	Si	0.25000	0.65100	0.09100	4

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.25000	0.00380	0.79840	0,m_y,m_z	0.64000	0.26000
2	0.25000	0.49620	0.79840	0,-m_y,m_z	-0.64000	0.26000
3	0.75000	0.99620	0.20160	0,m_y,m_z	0.64000	0.26000
4	0.75000	0.50380	0.20160	0,-m_y,m_z	-0.64000	0.26000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.70250	0,0,m_z	0.00000	0.00000	1.30000
2	0.75000	0.25000	0.29750	0,0,m_z	0.00000	0.00000	1.30000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.72270	0,0,m_z	0.00000	0.00000	0.15000
2	0.75000	0.75000	0.27730	0,0,m_z	0.00000	0.00000	0.15000

Atom	x	y	z
1	0.25000	0.14600	0.10540
2	0.25000	0.35400	0.10540
3	0.75000	0.85400	0.89460
4	0.75000	0.64600	0.89460

Atom	x	y	z
1	0.25000	0.58710	0.41450
2	0.25000	0.91290	0.41450
3	0.75000	0.41290	0.58550
4	0.75000	0.08710	0.58550

Atom	x	y	z
1	0.25000	0.11230	0.42660
2	0.25000	0.38770	0.42660
3	0.75000	0.88770	0.57340
4	0.75000	0.61230	0.57340

Atom	x	y	z
1	0.25000	0.65100	0.09100
2	0.25000	0.84900	0.09100
3	0.75000	0.34900	0.90900
4	0.75000	0.15100	0.90900

Reference: N. Tsujii, L. Keller, A. Donni, H. Kitazawa, J. Phys.: Condens. Matter (2016) 28 336002
DOI: 10.1088/0953-8984/28/33/336002
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pmmn (#59)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 8 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
4.26440 13.58780 7.36020 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pm'm'n (#59.409) (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 (8.4.27)
    [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_y	M_z	\|M\|
Yb1	Yb	0.25000	0.00380	0.79840	4	0,m_y,m_z	0.64(3)	0.26(3)	0.69
Yb2	Yb	0.25000	0.75000	0.70250	2	0,0,m_z	0.0	1.30(4)	1.30
Yb3	Yb	0.25000	0.25000	0.72270	2	0,0,m_z	0.0	0.15(4)	0.15

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.25000	0.00380	0.79840	0,m_y,m_z	0.64000	0.26000
2	0.25000	0.49620	0.79840	0,-m_y,m_z	-0.64000	0.26000
3	0.75000	0.99620	0.20160	0,m_y,m_z	0.64000	0.26000
4	0.75000	0.50380	0.20160	0,-m_y,m_z	-0.64000	0.26000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.70250	0,0,m_z	0.00000	0.00000	1.30000
2	0.75000	0.25000	0.29750	0,0,m_z	0.00000	0.00000	1.30000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.72270	0,0,m_z	0.00000	0.00000	0.15000
2	0.75000	0.75000	0.27730	0,0,m_z	0.00000	0.00000	0.15000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	4

Comments:

NPD
Positional structure from a determination at 15K

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep

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

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

YbPdSi (#0.952)