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,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }

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	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Si1	Si	0.03000	0.25000	0.61000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.17600	0.25000	0.12000	m_x,0,m_z	0.89000	2.44000
2	0.32400	0.75000	0.62000	-m_x,0,m_z	-0.89000	2.44000
3	0.82400	0.75000	0.88000	m_x,0,m_z	0.89000	2.44000
4	0.67600	0.25000	0.38000	-m_x,0,m_z	-0.89000	2.44000

Atom	x	y	z
1	0.03000	0.25000	0.61000
2	0.47000	0.75000	0.11000
3	0.97000	0.75000	0.39000
4	0.53000	0.25000	0.89000

Reference: V. Nguyen, F. Tcheou and J. Rossat-Mignod, Solid State Communications (1977) 23 821-823.
DOI: 10.1016/0038-1098(77)90960-7
Atomic positions from: ICSD #42944

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 46 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
8.15800 3.91800 5.88700 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a (#62.446) (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: m'm'm (8.4.27)
    [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	0.17600	0.25000	0.12000	4	m_x,0,m_z	0.89	0.0	2.44	2.60

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.17600	0.25000	0.12000	m_x,0,m_z	0.89000	2.44000
2	0.32400	0.75000	0.62000	-m_x,0,m_z	-0.89000	2.44000
3	0.82400	0.75000	0.88000	m_x,0,m_z	0.89000	2.44000
4	0.67600	0.25000	0.38000	-m_x,0,m_z	-0.89000	2.44000

[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	2

Comments:

NPD
Positional structure from a determination at room temperature
FM along z
Nd1 moment modulus: 2.6(3, 20 degrees from the c axis
Nd1 moment components are here given with non-significant digits to yield the reported modulus

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary

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

NdSi (#0.407)