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,-y,-z,+1	{ -1 \| 0 }
3	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
4	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
O1	O	0.29990	0.31570	0.05180	4
O2	O	0.31980	0.29230	0.44510	4
O3	O	0.60470	0.96670	0.25500	4

Atom	x	y	z	Symmetry constraints on M
1	0.01940	0.07240	0.25090	m_x,m_y,m_z
2	0.98060	0.92760	0.74910	m_x,m_y,m_z
3	0.48060	0.57240	0.24910	m_x,-m_y,m_z
4	0.51940	0.42760	0.75090	m_x,-m_y,m_z

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	0.84000	0.00000	-2.80000
2	0.00000	0.50000	0.00000	m_x,-m_y,m_z	0.84000	0.00000	-2.80000

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	0.84000	0.00000	-2.80000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	0.84000	0.00000	-2.80000

Atom	x	y	z
1	0.29990	0.31570	0.05180
2	0.70010	0.68430	0.94820
3	0.20010	0.81570	0.44820
4	0.79990	0.18430	0.55180

Atom	x	y	z
1	0.31980	0.29230	0.44510
2	0.68020	0.70770	0.55490
3	0.18020	0.79230	0.05490
4	0.81980	0.20770	0.94510

Atom	x	y	z
1	0.60470	0.96670	0.25500
2	0.39530	0.03330	0.74500
3	0.89530	0.46670	0.24500
4	0.10470	0.53330	0.75500

Reference: J. Blasco, J.L. Garcia-Munoz, J. Garcia, G. Subias, J. Stankiewicz, J.A. Rodriguez-Velamazan and C. Ritter, Physical Review B (2017) 96 024409.
DOI: 10.1103/physrevb.96.024409
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2₁/c (#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: 60 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.21920 5.56360 7.45220 90.00 89.77 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁'/c' (#14.79) (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' (5.5.16)
    [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_z	\|M\|
Ho1	Ho	0.01940	0.07240	0.25090	4	m_x,m_y,m_z	0.0	0.0	0.00
Co1	Co	0.50000	0.00000	0.5000	2	m_x,m_y,m_z	0.84(10)	-2.80(4)	2.92
Mn1	Mn	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.84	-2.8	2.92

Atom	x	y	z	Symmetry constraints on M
1	0.01940	0.07240	0.25090	m_x,m_y,m_z
2	0.98060	0.92760	0.74910	m_x,m_y,m_z
3	0.48060	0.57240	0.24910	m_x,-m_y,m_z
4	0.51940	0.42760	0.75090	m_x,-m_y,m_z

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	0.84000	0.00000	-2.80000
2	0.00000	0.50000	0.00000	m_x,-m_y,m_z	0.84000	0.00000	-2.80000

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	0.84000	0.00000	-2.80000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	0.84000	0.00000	-2.80000

[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	9

Comments:

NPD
Non-standard parent setting P2_1/n
The orientation of the moments in the figure of the reference is inconsistent with the moment components given the table of the article. The table has been assumed to be correct.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)
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

Ho2CoMnO6 (#0.317)

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