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	0.00540	0.03270	0.24710	4
O1	O	0.27020	0.30590	0.03080	4
O2	O	0.19660	0.77500	0.03840	4
O3	O	0.93040	0.48400	0.23460	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	6.66000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-6.66000

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	0.00000	0.00000	2.74000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.00000	-2.74000

Atom	x	y	z
1	0.00540	0.03270	0.24710
2	0.49460	0.53270	0.25290
3	0.99460	0.96730	0.75290
4	0.50540	0.46730	0.74710

Atom	x	y	z
1	0.27020	0.30590	0.03080
2	0.22980	0.80590	0.46920
3	0.72980	0.69410	0.96920
4	0.77020	0.19410	0.53080

Atom	x	y	z
1	0.19660	0.77500	0.03840
2	0.30340	0.27500	0.46160
3	0.80340	0.22500	0.96160
4	0.69660	0.72500	0.53840

Atom	x	y	z
1	0.93040	0.48400	0.23460
2	0.56960	0.98400	0.26540
3	0.06960	0.51600	0.76540
4	0.43040	0.01600	0.73460

Reference: Y. Doi, Y. Hinatsu, K. Oikawa, Y. Shimojob, Y. Morii, J. Mater. Chem. (2000) 10 797 - 800
DOI: 10.1039/A909096G
Atomic positions from: ICSD #90654

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:
5.76280 5.78410 8.14680 90.00 90.24 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\|
Ho1	Ho	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.0	0.0	6.66(8)	6.66
Ru1	Ru	0.50000	0.00000	0.50000	2	m_x,m_y,m_z	0.0	0.0	2.74(9)	2.74

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	6.66000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-6.66000

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	0.00000	0.00000	2.74000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.00000	-2.74000

[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 setting P2_1/n of parent space group.
WFM along b

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

Sr2HoRuO6 (#0.792)

Sr₂HoRuO₆ (#0.792)