MAGNDATA - Collection of Magnetic Structures

Parameter: index = 0.1
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 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
8	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

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
La	La	0.0513(7)	0.25000	-0.0095(5)	4
O1	O	0.48493(80)	0.25000	0.0777(7)	4
O2	O	0.3085(5)	0.0408(4)	0.7227(5)	8

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	3.87000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-3.87000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-3.87000
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z	3.87000

Atom	x	y	z
1	0.05130	0.25000	0.99050
2	0.94870	0.75000	0.00950
3	0.55130	0.25000	0.50950
4	0.44870	0.75000	0.49050

Atom	x	y	z
1	0.48493	0.25000	0.07770
2	0.51507	0.75000	0.92230
3	0.98493	0.25000	0.42230
4	0.01507	0.75000	0.57770

Atom	x	y	z
1	0.30850	0.04080	0.72270
2	0.69150	0.54080	0.27730
3	0.69150	0.95920	0.27730
4	0.30850	0.45920	0.72270
5	0.80850	0.45920	0.77730
6	0.19150	0.95920	0.22270
7	0.19150	0.54080	0.22270
8	0.80850	0.04080	0.77730

Reference: Moussa, F., Hennion, M., Rodriguez-Carvajal, J., Moudden, H., Pinsard, L., Revcolevschi, A et al., PHYSICAL REVIEW B (1995) 54 15149 - 15155
DOI: 10.1103/PhysRevB.54.15149
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 139.5 K
Experiment Temperature: 1.4 K

Lattice parameters of the magnetic unit cell:
5.7461(2) 7.6637(4) 5.5333(2) 90.0000 90.0000 90.0000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'ma' (#62.448) (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'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\|
Mn	Mn	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	3.87(3)	0.0	0.0	3.87

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	3.87000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-3.87000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-3.87000
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z	3.87000

[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:

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active

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

LaMnO3 (#0.1)

LaMnO₃ (#0.1)