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	{ 2₀₁₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
13	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
14	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
5	x,-y,-z,-1	2'₁₀₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,y,z,-1	m'₁₀₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Ni2	Ni	0.25000	0.25000	0.50000	4
Si1	Si	0.50000	0.00000	0.50000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	8.66000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,m_y,0	0.00000	8.66000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.34030	0.00000	0,m_y,0	0.00000	0.00000	0.00000
2	0.00000	0.65970	0.00000	0,m_y,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.84030	0.00000	0,m_y,0	0.00000	0.00000	0.00000
4	0.50000	0.15970	0.00000	0,m_y,0	0.00000	0.00000	0.00000

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

Atom	x	y	z
1	0.50000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
2	0.00000	0.50000	0.50000

Reference: A.V. Morozkin, F. Yuan, Y. Mozharivsky, O. Isnard, J. Magn. Magn. Mat. (2014) 368 121 - 125
DOI: 10.1016/j.jmmm.2014.04.057
Atomic positions from: ICSD #192867

Parent space group (paramagnetic phase): Cmmm (#65)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 37 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
5.04810 8.20480 3.94220 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cmm'm' (#65.486) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,-a,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\|
Y1	Y	0.00000	0.00000	0.00000	2	0,m_y,0	0.0	8.66(6)	0.0	8.66
Ni1	Ni	0.00000	0.34030	0.00000	4	0,m_y,0	0.0	0.0	0.0	0.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	8.66000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,m_y,0	0.00000	8.66000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.34030	0.00000	0,m_y,0	0.00000	0.00000	0.00000
2	0.00000	0.65970	0.00000	0,m_y,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.84030	0.00000	0,m_y,0	0.00000	0.00000	0.00000
4	0.50000	0.15970	0.00000	0,m_y,0	0.00000	0.00000	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
mGM4+	1	1	primary	2

Comments:

NPD
Simple FM along b

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (6 possible)
1-dim irrep as primary
The MSG assigned in the original reference is wrong and is here corrected

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

YNi4Si (#0.374)

YNi₄Si (#0.374)