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+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
(1/2,1/2,0)' + set click here to show and hide
5	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
6	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 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
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Rh1_1	Rh	0.25000	0.25000	0.50000	2
Rh1_2	Rh	0.25000	0.75000	0.50000	2

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,m_z	3.00000	3.00000	3.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-3.00000	3.00000	-3.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-3.00000	-3.00000	-3.00000
4	0.50000	0.00000	0.00000	m_x,-m_y,m_z	3.00000	-3.00000	3.00000

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

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

Reference: R. Chamard-Bois, N. Nhung, J. Yakinthos, M. Wintenberger, Solid State Communications (1972) 10 685 - 689
DOI: 10.1016/0038-1098(72)90586-8
Atomic positions from: ICSD #104445

Parent space group (paramagnetic phase): Pm-3m (#221)
Propagation vector(s):
k1 (0, 0, 1/2)
k2 (0, 1/2, 0)
k3 (1/2, 0, 0)

Transition Temperature: 3.2 K
Experiment Temperature: 1.2 K

Lattice parameters of the magnetic unit cell:
6.75400 6.75400 3.37700 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_C2₁/m (#11.57) (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: 2/m.1' (5.2.13)
    [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\|
Ho1	Ho	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	3.	3.	3.	5.20

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,m_z	3.00000	3.00000	3.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-3.00000	3.00000	-3.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-3.00000	-3.00000	-3.00000
4	0.50000	0.00000	0.00000	m_x,-m_y,m_z	3.00000	-3.00000	3.00000

[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
mX5+	6	2	special	primary	3

Comments:

NPD
Cell parameters determined at room temperature

Comments (symmetry):

2k magnetic structure
6-irrep along a special direction as primary
The star of the active irrep has three k-vectors. This is a 2k model involving two of them.
A 3k model is also proposed as a possible alternative, fitting equally well the data (see #3.18).
The also possible 1k model is discarded in favor of these two multi-k models.

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

HoRh (#2.71)