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+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	-x,-y,-z,-1	{ -1' \| 0 }
4	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,-1	-1'
4	x,y,-z,-1	m'₀₀₁

Label	Atom type	y	z	Multiplicity
Ge1	Ge	0.04240	0.25000	4
Ge2	Ge	0.69220	0.25000	4
Ge3	Ge	0.81260	0.25000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.41830	0.25000	m_x,m_y,0	8.11000	-2.17000	0.00000
2	0.00000	0.58170	0.75000	-m_x,-m_y,0	-8.11000	2.17000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.91830	0.25000	m_x,m_y,0	8.11000	-2.17000	0.00000
4	0.50000	0.08170	0.75000	-m_x,-m_y,0	-8.11000	2.17000	0.00000

Atom	x	y	z
1	0.00000	0.04240	0.25000
2	0.00000	0.95760	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.54240	0.25000
4	0.50000	0.45760	0.75000

Atom	x	y	z
1	0.00000	0.69220	0.25000
2	0.00000	0.30780	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.19220	0.25000
4	0.50000	0.80780	0.75000

Atom	x	y	z
1	0.00000	0.81260	0.25000
2	0.00000	0.18740	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.31260	0.25000
4	0.50000	0.68740	0.75000

Reference: P. Schobinger-Papamantellos, G. Andre, J. Rodriguez-Carvajal, C. de Groot and K. Buschow, Journal of Alloys and Compounds (1996) 232 165-168.
DOI: 10.1016/0925-8388(95)01949-9
Atomic positions from: ICSD #55524

Parent space group (paramagnetic phase): Cmcm (#63)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 7 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
3.99680 20.65900 3.88430 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁/m' (#11.53) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2b,-c,-1/2a+1/2b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m' (5.4.15)
    [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	0.41830	0.25000	4	m_x,m_y,0	8.11	-2.17	0.0	8.40

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.41830	0.25000	m_x,m_y,0	8.11000	-2.17000	0.00000
2	0.00000	0.58170	0.75000	-m_x,-m_y,0	-8.11000	2.17000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.91830	0.25000	m_x,m_y,0	8.11000	-2.17000	0.00000
4	0.50000	0.08170	0.75000	-m_x,-m_y,0	-8.11000	2.17000	0.00000

[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	1
mGM2-	1	1	primary	1

Comments:

Comments (symmetry):

1k magnetic structure
Two different irreps are active as primary: two order parameters in Landau theory sense
Magnetic moment modulus: 8.4(1)

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

ErGe3 (#0.330)

ErGe₃ (#0.330)