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,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 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	{ -1 \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	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
Pt1	Pt	0.00000	0.41600	0.25000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.13100	0.25000	m_x,0,m_z	2.17000	0.00000	0.88000
2	0.00000	0.86900	0.75000	m_x,0,m_z	2.17000	0.00000	0.88000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.63100	0.25000	m_x,0,m_z	2.17000	0.00000	0.88000
4	0.50000	0.36900	0.75000	m_x,0,m_z	2.17000	0.00000	0.88000

Atom	x	y	z
1	0.00000	0.41600	0.25000
2	0.00000	0.58400	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.91600	0.25000
4	0.50000	0.08400	0.75000

Reference: A. Castets, D. Gignoux, J. C. Gomez-Sal, E. Roudaut, Solid State Communications (1982) 44 1329 - 1334
DOI: 10.1016/0038-1098(82)91116-4
Atomic positions from: ICSD #105278

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

Transition Temperature: 23 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
3.84600 10.76900 4.54200 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c' (#15.89) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,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_y	M_z	\|M\|
Nd1	Nd	0.00000	0.13100	0.25000	4	m_x,0,m_z	2.17	0.0	0.88	2.34

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.13100	0.25000	m_x,0,m_z	2.17000	0.00000	0.88000
2	0.00000	0.86900	0.75000	m_x,0,m_z	2.17000	0.00000	0.88000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.63100	0.25000	m_x,0,m_z	2.17000	0.00000	0.88000
4	0.50000	0.36900	0.75000	m_x,0,m_z	2.17000	0.00000	0.88000

[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	1
mGM3+	1	1	primary	1

Comments:

NPD
Position structure from a determination at 59K
FM on the plane ac

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary

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

NdPt (#0.690)