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	{ m₀₁₀ \| 1/2 1/2 0 }
3	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
4	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }

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

Label	Atom type	x	y	z	Multiplicity
Si1	Si	0.07100	0.13000	0.00000	4
N1	N	0.05500	0.08200	0.35100	4
N2	N	0.10200	0.65500	0.41000	4

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.07200	0.62800	0.99500	m_x,m_y,m_z	3.80000
2	0.57200	0.87200	0.99500	-m_x,m_y,-m_z	-3.80000
3	0.92800	0.37200	0.49500	m_x,m_y,-m_z	-3.80000
4	0.42800	0.12800	0.49500	-m_x,m_y,m_z	3.80000

Atom	x	y	z
1	0.07100	0.13000	0.00000
2	0.57100	0.37000	0.00000
3	0.92900	0.87000	0.50000
4	0.42900	0.63000	0.50000

Atom	x	y	z
1	0.05500	0.08200	0.35100
2	0.55500	0.41800	0.35100
3	0.94500	0.91800	0.85100
4	0.44500	0.58200	0.85100

Atom	x	y	z
1	0.10200	0.65500	0.41000
2	0.60200	0.84500	0.41000
3	0.89800	0.34500	0.91000
4	0.39800	0.15500	0.91000

Reference: M. Wintenberger, R. Marchand, M. Maunaye, Solid State Communications (1977) 21 733 - 735
DOI: 10.1016/0038-1098(77)91139-5
Atomic positions from: ICSD #200019

Parent space group (paramagnetic phase): Pna2₁ (#33)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 453 K
Experiment Temperature: 295 K

Lattice parameters of the magnetic unit cell:
5.24800 6.51100 5.07000 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'a2₁' (#33.146) (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'm2' (7.3.22)
    [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	Mn	0.07200	0.62800	0.99500	4	m_x,m_y,m_z	0.0	0.0	3.8	3.80

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.07200	0.62800	0.99500	m_x,m_y,m_z	3.80000
2	0.57200	0.87200	0.99500	-m_x,m_y,-m_z	-3.80000
3	0.92800	0.37200	0.49500	m_x,m_y,-m_z	-3.80000
4	0.42800	0.12800	0.49500	-m_x,m_y,m_z	3.80000

[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	3

Comments:

NPD
FM along b

Comments (symmetry):

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

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

MnSiN2 (#0.1066)

MnSiN₂ (#0.1066)