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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
8	x,y,-z,-1	{ m'₀₀₁ \| 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
F	F	0.30330	0.30330	0.00000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	-2.00000	0.03000	0.00000
2	0.50000	0.50000	0.50000	-m_x,m_y,0	2.00000	0.03000	0.00000

Atom	x	y	z
1	0.30330	0.30330	0.00000
2	0.19670	0.80330	0.50000
3	0.69670	0.69670	0.00000
4	0.80330	0.19670	0.50000

Reference: P.J. Brown and J.B. Forsyth, Journal of Physics C: Solid State Physics (1981) 14 5171-5184.
DOI: 10.1088/0022-3719/14/33/023
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4₂/mnm (#136)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 73 K

Lattice parameters of the magnetic unit cell:
4.71000 4.71000 3.11800 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pnn'm' (#58.398) (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\|
Ni	Ni	0.00000	0.00000	0.00000	2	m_x,m_y,0	-2.	0.03	0.0	2.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	-2.00000	0.03000	0.00000
2	0.50000	0.50000	0.50000	-m_x,m_y,0	2.00000	0.03000	0.00000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action
mGM5	2	2	special	primary

Comments:

PNPD
my = weak ferromagnetic component
value of weak F component from macroscopic measurements
very small orthorhombic strain of the unit cell detected in other studies. A Pnnm structural model consistent with the
magnetic symmetry has been reported (icsd 73728)

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry

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

NiF2 (#0.36)

NiF₂ (#0.36)