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,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
3	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
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,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
11	-x,-y,-z,+1	{ -1 \| 0 }
12	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
13	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
14	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
15	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
16	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 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	Occupancy	Multiplicity
Bi1	Bi	0.00000	0.25000	0.50230	0.8	4
La1	La	0.00000	0.25000	0.50230	0.2	4
O1	O	0.00000	0.25000	0.07340	1.	4
O2	O	0.25000	0.53320	0.25000	1.	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	2.00000
2	0.50000	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	-2.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.00000	2.00000
4	0.00000	0.50000	0.00000	0,m_y,-m_z	0.00000	0.00000	-2.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	2.00000
2	0.50000	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	-2.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.00000	2.00000
4	0.00000	0.50000	0.00000	0,m_y,-m_z	0.00000	0.00000	-2.00000

Atom	x	y	z
1	0.00000	0.25000	0.50230
2	0.50000	0.25000	0.99770
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.00230
4	0.00000	0.75000	0.49770

Atom	x	y	z
1	0.00000	0.25000	0.50230
2	0.50000	0.25000	0.99770
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.00230
4	0.00000	0.75000	0.49770

Atom	x	y	z
1	0.00000	0.25000	0.07340
2	0.50000	0.25000	0.42660
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.57340
4	0.00000	0.75000	0.92660

Atom	x	y	z
1	0.25000	0.53320	0.25000
2	0.25000	0.96680	0.25000
3	0.75000	0.96680	0.25000
4	0.75000	0.53320	0.25000
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.03320	0.75000
6	0.75000	0.46680	0.75000
7	0.25000	0.46680	0.75000
8	0.25000	0.03320	0.75000

Reference: J. Bertinshaw, D. L. Cortie, Z. X. Cheng, M. Avdeev, A. J. Studer, F. Klose, C. Ulrich, X. L. Wang, PHYSICAL REVIEW B (2014) 89 144422
DOI: 10.1103/PhysRevB.89.144422
Atomic positions from: ICSD #291137

Parent space group (paramagnetic phase): Imma (#74)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 240 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
5.56500 7.80600 5.57490 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Imm'a' (#74.559) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,a,c;1/4,1/4,1/4)
    [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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.5	4	0,m_y,m_z	0.0	0.0	2.	2.00
Mn1	Mn	0.00000	0.00000	0.00000	0.5	4	0,m_y,m_z	0.0	0.0	2.	2.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	2.00000
2	0.50000	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	-2.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.00000	2.00000
4	0.00000	0.50000	0.00000	0,m_y,-m_z	0.00000	0.00000	-2.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	2.00000
2	0.50000	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	-2.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.00000	2.00000
4	0.00000	0.50000	0.00000	0,m_y,-m_z	0.00000	0.00000	-2.00000

[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	4

Comments:

NPD
Position structure from a determination at 300K
FM along b
weak FM observed

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary

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

For comments, please mail to
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MAGNDATA: A Collection of magnetic structures with portable cif-type files

Bi0.8La0.2Fe0.5Mn0.5O3 (#0.680)

Bi_0.8La_0.2Fe_0.5Mn_0.5O₃ (#0.680)