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	0.00580	0.03300	0.24940	4
O1	O	0.26970	0.30270	0.03740	4
O2	O	0.19390	0.77300	0.03970	4
O3	O	0.92860	0.48240	0.23190	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	-1.70000	0.00000	4.69000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	1.70000	0.00000	-4.69000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	-1.02000	0.00000	2.82000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	1.02000	0.00000	-2.82000

Atom	x	y	z
1	0.00580	0.03300	0.24940
2	0.49420	0.53300	0.25060
3	0.99420	0.96700	0.75060
4	0.50580	0.46700	0.74940

Atom	x	y	z
1	0.26970	0.30270	0.03740
2	0.23030	0.80270	0.46260
3	0.73030	0.69730	0.96260
4	0.76970	0.19730	0.53740

Atom	x	y	z
1	0.19390	0.77300	0.03970
2	0.30610	0.27300	0.46030
3	0.80610	0.22700	0.96030
4	0.69390	0.72700	0.53970

Atom	x	y	z
1	0.92860	0.48240	0.23190
2	0.57140	0.98240	0.26810
3	0.07140	0.51760	0.76810
4	0.42860	0.01760	0.73190

Reference: Y. Doi, Y. Hinatsu, K. Oikawa, Y. Shimojob, Y. Morii, J. Mater. Chem (2000) 10 1731 - 1735
DOI: 10.1039/b000689k
Atomic positions from: ICSD #290794

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: 41 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.78050 5.80720 8.18530 90.00 90.31 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\|
Tb1	Tb	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	-1.7	0.0	4.69	5.00
Ru1	Ru	0.50000	0.00000	0.50000	2	m_x,m_y,m_z	-1.02	0.0	2.82	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	-1.70000	0.00000	4.69000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	1.70000	0.00000	-4.69000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	-1.02000	0.00000	2.82000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	1.02000	0.00000	-2.82000

[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 P2_1/n
WFM along b
The moment components are only approximate and have been here calculated considering the approximate 20 degrees canting along the a direction that is reported.

Comments (symmetry):

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

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

Sr2TbRuO6 (#0.791)

Sr₂TbRuO₆ (#0.791)