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 }
(1/2,1/2,1/2)' + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
6	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
7	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
8	x,-y,z,-1	{ m'₀₁₀ \| 0 }

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
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Co1	Co	0.00000	0.50000	0.25000	4
Si1	Si	0.00000	0.00000	0.37570	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	5.61000	0.00000	3.75000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000	-m_x,0,-m_z	-5.61000	0.00000	-3.75000

Atom	x	y	z
1	0.00000	0.50000	0.25000
2	0.50000	0.00000	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.75000
4	0.00000	0.50000	0.75000

Atom	x	y	z
1	0.00000	0.00000	0.37570
2	0.50000	0.50000	0.12430
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.87570
4	0.00000	0.00000	0.62430

Reference: J.K. Yakinthos, Ch. Routsi, P. Schobinger-Papamantellos, Journal of Magnetism and Magnetic Materials (1983) 30 355 - 358
DOI: 10.1016/0304-8853(83)90075-6
Atomic positions from: ICSD #55759

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (1, 1, 1)

Transition Temperature: 6 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
3.85990 3.85990 9.70970 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_A2₁/c (#14.83) (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' (5.2.13)
    [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\|
Er1	Er	0.00000	0.00000	0.00000	2	m_x,0,m_z	5.61	0.0	3.75	6.75

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	5.61000	0.00000	3.75000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000	-m_x,0,-m_z	-5.61000	0.00000	-3.75000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mM5+	2	2	special	primary	1
mM3+	1	1		primary	1

Comments:

NPD
Direction of the moment component on the ab plane undetermined. Here a direction of maximal symmetry is chosen.
See #1.516 for a different model of this structure with a higher MSG, a single irrep involved, and a much larger moment magnitude.

Comments (symmetry):

1k magnetic structure
two irreps present as primary: two magnetic order parameters involved

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

ErCo2Si2 (#1.515)

ErCo₂Si₂ (#1.515)