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,-x+y,-z,+1	{ 2₀₁₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,x-y,z,+1	{ m₀₁₀ \| 0 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-x,-x+y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
8	x,x-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-x+y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,x-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-x+y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,x-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Si1	Si	0.333333	0.666667	0.31500	4
Al1	Al	0.333333	0.666667	0.13400	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	5.80000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	0,-m_y,0	0.00000	-5.80000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.31500
2	0.66667	0.33333	0.68500
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.81500
4	0.66667	0.33333	0.18500

Atom	x	y	z
1	0.33333	0.66667	0.13400
2	0.66667	0.33333	0.86600
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.63400
4	0.66667	0.33333	0.36600

Reference: P. Schobinger-Papamantellos, F. Hulliger, J. less-common met. (1989) 146 327 - 335
DOI: 10.1016/0022-5088(89)90390-1
Atomic positions from: ICSD #607471

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 35 K
Experiment Temperature: 9 K

Lattice parameters of the magnetic unit cell:
4.162(2) 4.162(2) 14.416(8) 90.00 90.00 120.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_c2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2a+b,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m1' (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\|
Eu1	Eu	0.00000	0.00000	0.00000	2	0,m_y,0	0.0	5.8(1)	0.0	5.80

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	5.80000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	0,-m_y,0	0.00000	-5.80000	0.00000

[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
mA3+	2	2	special	primary	1

Comments:

NPD
Magnetic moment of the Eu2+ ion, which is estimated to be 5.8(1) muB,
is considerably lower than the expected saturation value.
Direction of the moments on the ab trigonal plane remains undetermined. Here one of the two non-equivalent directions of maximal symmetry has been arbitrarily chosen.

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction

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

EuAl2Si2 (#1.777)

EuAl₂Si₂ (#1.777)