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

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

Label	Atom type	x	y	z	Multiplicity
Mg1	Mg	0.50000	0.50000	0.25000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	5.18000	0.00000	5.20000
2	0.00000	0.00000	0.50000	-m_x,0,m_z	-5.18000	0.00000	5.20000

Atom	x	y	z
1	0.50000	0.50000	0.25000
2	0.50000	0.50000	0.75000

Reference: R. Aleonard, P. Morin, J. Pierre and D. Schmitt, Solid State Communications (1975) 17 599-603.
DOI: 10.1016/0038-1098(75)90544
Atomic positions from: ICSD #104880

Parent space group (paramagnetic phase): Pm-3m (#221)
Propagation vector(s):
k1 (0, 0, 0)
k2 (0, 0, 1/2)

Transition Temperature: 81 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
3.77800 3.77800 7.55600 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pmm'a' (#51.295) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,b,a;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\|
Tb1	Tb	0.00000	0.00000	0.00000	2	m_x,0,m_z	5.18(5)	0.0	5.2(1)	7.34

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	5.18000	0.00000	5.20000
2	0.00000	0.00000	0.50000	-m_x,0,m_z	-5.18000	0.00000	5.20000

[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
mGM4+	3	3	special	primary	1
mX5+	6	2	special-2	primary	1

Comments:

NPD
Two models were undistinguishable. This is the first one proposed (FzAx). See the second one in entry #2.12
A similar structure is attributed to GdMg

Comments (symmetry):

2k magnetic structure
k-maximal magnetic symmetry
The two different models include the same irreps, but with different relative orientations of their order parameters.
The mx and mz components are the mX5+(k2) and mGM4+(k1) modes, respectively.

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

TbMg (#2.11)