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	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,-1	{ -1' \| 0 }
6	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
7	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
8	x,y,-z,-1	{ m'₀₀₁ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,-1	-1'
6	-x,y,z,-1	m'₁₀₀
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.00000	0.00000	0.50000	2
Ge3	Ge	0.21000	-0.22260	0.00000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.09440	0.35540	0.00000	m_x,m_y,0	0.54000	-0.34000
2	0.59440	0.14460	0.50000	m_x,-m_y,0	0.54000	0.34000
3	0.40560	0.85540	0.50000	-m_x,m_y,0	-0.54000	-0.34000
4	0.90560	0.64460	0.00000	-m_x,-m_y,0	-0.54000	0.34000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.35370	0.08000	0.00000	m_x,m_y,0	0.34000	-0.54000
2	0.85370	0.42000	0.50000	m_x,-m_y,0	0.34000	0.54000
3	0.14630	0.58000	0.50000	-m_x,m_y,0	-0.34000	-0.54000
4	0.64630	0.92000	0.00000	-m_x,-m_y,0	-0.34000	0.54000

Atom	x	y	z
1	0.00000	0.00000	0.50000
2	0.50000	0.50000	0.00000

Atom	x	y	z
1	0.21000	0.77740	0.00000
2	0.71000	0.72260	0.50000
3	0.29000	0.27740	0.50000
4	0.79000	0.22260	0.00000

Reference: P. Schobinger-Papamantellos, J. Rodriguez-Carvajal, G. Andre, N. Duong, K. Buschow and P. Toledano, Journal of Magnetism and Magnetic Materials (2001) 236 14-27.
DOI: 10.1016/s0304-8853(01)00442-5
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pnnm (#58)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 43.5 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
7.38770 7.20330 3.86030 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'n'm' (#58.399) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm' (8.5.28)
    [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\|
Fe1	Fe	0.09440	0.35540	0.00000	4	m_x,m_y,0	0.54	-0.34	0.0	0.64
Fe2	Fe	0.35370	0.08000	0.00000	4	m_x,m_y,0	0.34	-0.54	0.0	0.64

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.09440	0.35540	0.00000	m_x,m_y,0	0.54000	-0.34000
2	0.59440	0.14460	0.50000	m_x,-m_y,0	0.54000	0.34000
3	0.40560	0.85540	0.50000	-m_x,m_y,0	-0.54000	-0.34000
4	0.90560	0.64460	0.00000	-m_x,-m_y,0	-0.54000	0.34000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.35370	0.08000	0.00000	m_x,m_y,0	0.34000	-0.54000
2	0.85370	0.42000	0.50000	m_x,-m_y,0	0.34000	0.54000
3	0.14630	0.58000	0.50000	-m_x,m_y,0	-0.34000	-0.54000
4	0.64630	0.92000	0.00000	-m_x,-m_y,0	-0.34000	0.54000

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

Active Irreps:

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

YFe4Ge2 (#0.27)

YFe₄Ge₂ (#0.27)