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	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.00550	0.02580	0.24800	4
O1	O	0.26890	0.29610	0.03450	4
O2	O	0.20180	0.77060	0.03350	4
O3	O	0.93630	0.48760	0.23780	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.36000	0.00000	0.85000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-0.36000	0.00000	-0.85000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.18000	0.00000	2.76000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	-1.18000	0.00000	-2.76000

Atom	x	y	z
1	0.00550	0.02580	0.24800
2	0.49450	0.52580	0.25200
3	0.99450	0.97420	0.75200
4	0.50550	0.47420	0.74800

Atom	x	y	z
1	0.26890	0.29610	0.03450
2	0.23110	0.79610	0.46550
3	0.73110	0.70390	0.96550
4	0.76890	0.20390	0.53450

Atom	x	y	z
1	0.20180	0.77060	0.03350
2	0.29820	0.27060	0.46650
3	0.79820	0.22940	0.96650
4	0.70180	0.72940	0.53350

Atom	x	y	z
1	0.93630	0.48760	0.23780
2	0.56370	0.98760	0.26220
3	0.06370	0.51240	0.76220
4	0.43630	0.01240	0.73780

Reference: Y. Doi, Y. Hinatsu, A. Nakamura, Y. Ishii, Y. Morii, J. Mater. Chem. (2003) 13 1758 - 1763
DOI: 10.1039/b301935g
Atomic positions from: ICSD #55716

Parent space group (paramagnetic phase): P2₁/n (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 44 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.73140 5.73670 8.10290 90.00 90.182 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁/c (#14.75) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1 (5.1.12)
    [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\|
Yb1	Yb	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.36	0.0	0.85	0.92
Ru1	Ru	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	1.18	0.0	2.76	3.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.36000	0.00000	0.85000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-0.36000	0.00000	-0.85000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.18000	0.00000	2.76000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	-1.18000	0.00000	-2.76000

[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	6

Comments:

NPD
Non-standard parent setting P12_1/n1
Position structure from a measurement at 100K
FM along b

Comments (symmetry):

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

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https://www.cryst.ehu.es

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

Sr2YbRuO6 (#0.670)

Sr₂YbRuO₆ (#0.670)