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	0.00190	0.02460	0.24850	4
O1	O	0.26580	0.29550	0.03260	4
O2	O	0.20260	0.76960	0.03220	4
O3	O	0.93660	0.48900	0.23830	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	0.00000	0.00000	1.40000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-1.40000

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	0.00000	0.00000	-1.50000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	1.50000

Atom	x	y	z
1	0.00190	0.02460	0.24850
2	0.49810	0.52460	0.25150
3	0.99810	0.97540	0.75150
4	0.50190	0.47540	0.74850

Atom	x	y	z
1	0.26580	0.29550	0.03260
2	0.23420	0.79550	0.46740
3	0.73420	0.70450	0.96740
4	0.76580	0.20450	0.53260

Atom	x	y	z
1	0.20260	0.76960	0.03220
2	0.29740	0.26960	0.46780
3	0.79740	0.23040	0.96780
4	0.70260	0.73040	0.53220

Atom	x	y	z
1	0.93660	0.48900	0.23830
2	0.56340	0.98900	0.26170
3	0.06340	0.51100	0.76170
4	0.43660	0.01100	0.73830

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 #55715

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: 36 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.75530 5.75420 8.13320 90.00 90.16 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\|
Tm1	Tm	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.0	0.0	1.4(1)	1.40
Ru1	Ru	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	0.0	0.0	-1.5(1)	1.50

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	0.00000	0.00000	1.40000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-1.40000

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	0.00000	0.00000	-1.50000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	1.50000

[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	6

Comments:

NPD
Non-standard parent setting P12_1/n1
Position structure from a measurement at room temperature
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

Sr2TmRuO6 (#0.671)

Sr₂TmRuO₆ (#0.671)