MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

working...

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 }
5	x,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 0 0 1/2 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	-x,-x+y,z+1/2,-1	{ m'₂₁₀ \| 0 0 1/2 }
8	x,y,-z+1/2,-1	{ m'₀₀₁ \| 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
5	x,x-y,-z,-1	2'₂₁₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-x+y,z,-1	m'₂₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Sn1	Sn	0.333333	0.666667	0.25000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.83880	0.67760	0.25000	m_x,m_y,0	3.00000	3.00000
2	0.16120	0.83880	0.75000	-m_x,-m_x+m_y,0	-3.00000	0.00000
3	0.16120	0.32240	0.75000	m_x,m_y,0	3.00000	3.00000
4	0.83880	0.16120	0.25000	-m_x,-m_x+m_y,0	-3.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.32240	0.16120	0.25000	0,m_y,0	0.00000	-3.00000	0.00000
2	0.67760	0.83880	0.75000	0,m_y,0	0.00000	-3.00000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.25000
2	0.66667	0.33333	0.75000

Reference: P.J. Brown, V. Nunez, F. Tasset, J.B. Forsyth and P. Radhakrishna, Journal of Physics: Condensed Matter (1990) 2 9409-9422.
DOI: 10.1088/0953-8984/2/47/015
Atomic positions from: ICSD #643730

Parent space group (paramagnetic phase): P6₃/mmc (#194)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 420 K
Experiment Temperature: 200 K

Lattice parameters of the magnetic unit cell:
5.66500 5.66500 4.53100 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cmc'm' (#63.463) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,2a+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\|
Mn1_1	Mn	0.83880	0.67760	0.25000	4	m_x,m_y,0	3.00(1)	3.	0.0	3.00
Mn1_2	Mn	0.32240	0.16120	0.25000	2	0,m_y,0	0.0	-3.	0.0	3.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.83880	0.67760	0.25000	m_x,m_y,0	3.00000	3.00000
2	0.16120	0.83880	0.75000	-m_x,-m_x+m_y,0	-3.00000	0.00000
3	0.16120	0.32240	0.75000	m_x,m_y,0	3.00000	3.00000
4	0.83880	0.16120	0.25000	-m_x,-m_x+m_y,0	-3.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.32240	0.16120	0.25000	0,m_y,0	0.00000	-3.00000	0.00000
2	0.67760	0.83880	0.75000	0,m_y,0	0.00000	-3.00000	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	presence
mGM6+	2	2	special	primary	2
mGM3+	1	1		secondary	1	no

Comments:

polarized NSD

Comments (symmetry):

1k structure
2-dim irrep active along special direction.
Secondary weak FM along b (and domain related equivalent directions) is symmetry allowed. Weak FM has been detected in macroscopic measurements.
This structure is one of the two possible models proposed in the article. It corresponds to a special direction within the space of the active irrep (mGM6+). The second model (see #0.200), which results undistinguishable, is realized when considering the second possible non-equivalent special direction for the same active irrep.

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus

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

Mn3Sn (#0.199)

Mn₃Sn (#0.199)