MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

working...

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

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
Y1	Y	0.48302	0.43343	0.75000	4
O1	O	0.60430	0.03480	0.75000	4
O2	O	0.69270	0.30230	0.05380	8

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	2.96000
2	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	-2.96000
3	0.00000	0.50000	0.50000	m_x,-m_y,m_z	2.96000
4	0.00000	0.50000	0.00000	-m_x,m_y,m_z	-2.96000

Atom	x	y	z
1	0.48302	0.43343	0.75000
2	0.51698	0.56657	0.25000
3	0.01698	0.93343	0.75000
4	0.98302	0.06657	0.25000

Atom	x	y	z
1	0.60430	0.03480	0.75000
2	0.39570	0.96520	0.25000
3	0.89570	0.53480	0.75000
4	0.10430	0.46520	0.25000

Atom	x	y	z
1	0.69270	0.30230	0.05380
2	0.30730	0.69770	0.55380
3	0.30730	0.69770	0.94620
4	0.69270	0.30230	0.44620
5	0.80730	0.80230	0.44620
6	0.19270	0.19770	0.94620
7	0.19270	0.19770	0.55380
8	0.80730	0.80230	0.05380

Reference: E. F. Bertaut, G. Bassi, G. Buisson, P. Burlet, J. Chappert, A. Delapalme, J. Mareschal, G. Roult, R. Aleonard, R. Pauthenet, J. P. Rebouillat, JOURNAL OF APPLIED PHYSICS (1966) 37 1038 - 1039
DOI: 10.1063/1.1708325
Atomic positions from: ICSD #251107

Parent space group (paramagnetic phase): Pbnm (#62) (non-standard)
Transformation to a standard setting: (b,c,a;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 141 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
5.24380 5.52270 7.53550 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'ma' (#62.448) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,c,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\|
Cr1	Cr	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	2.96	0.0	0.0	2.96

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	2.96000
2	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	-2.96000
3	0.00000	0.50000	0.50000	m_x,-m_y,m_z	2.96000
4	0.00000	0.50000	0.00000	-m_x,m_y,m_z	-2.96000

[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
Position structure from another study at 293K
Non-standard setting Pbnm of the parent space group

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
Irrep label used here refers to the standard setting Pnma of the parent space group
Symmetry-allowed FM along c (Pbnm setting)

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus

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

YCrO3 (#0.586)

YCrO₃ (#0.586)