MAGNDATA - Collection of Magnetic Structures

Parameter: index = 0.24
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+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
4	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
5	-x,-y,-z,-1	{ -1' \| 0 }
6	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
7	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
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	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,-1	-1'
6	-x,y,z,-1	m'₁₀₀
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.00000	0.00000	0.00000	4
P1	P	0.90770	0.75000	0.59190	4
O1	O	0.90320	0.75000	0.26640	4
O2	O	0.54390	0.75000	0.79270	4
O3	O	0.83910	0.95080	0.72190	8

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.71830	0.75000	0.02810	m_x,0,m_z	-3.90000
2	0.21830	0.75000	0.47190	m_x,0,-m_z	-3.90000
3	0.28170	0.25000	0.97190	-m_x,0,-m_z	3.90000
4	0.78170	0.25000	0.52810	-m_x,0,m_z	3.90000

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000
3	0.00000	0.50000	0.00000
4	0.50000	0.00000	0.50000

Atom	x	y	z
1	0.90770	0.75000	0.59190
2	0.40770	0.75000	0.90810
3	0.09230	0.25000	0.40810
4	0.59230	0.25000	0.09190

Atom	x	y	z
1	0.90320	0.75000	0.26640
2	0.40320	0.75000	0.23360
3	0.09680	0.25000	0.73360
4	0.59680	0.25000	0.76640

Atom	x	y	z
1	0.54390	0.75000	0.79270
2	0.04390	0.75000	0.70730
3	0.45610	0.25000	0.20730
4	0.95610	0.25000	0.29270

Atom	x	y	z
1	0.83910	0.95080	0.72190
2	0.33910	0.54920	0.77810
3	0.16090	0.45080	0.27810
4	0.66090	0.04920	0.22190
5	0.16090	0.04920	0.27810
6	0.66090	0.45080	0.22190
7	0.83910	0.54920	0.72190
8	0.33910	0.95080	0.77810

Reference: R. Toft-Petersen, N.H. Andersen, H. Li, J. Li, W. Tian, S.L. Bud'ko, T.B.S. Jensen, C. Niedermayer, M. Laver, O. Zaharko, J.W. Lynn and D. Vaknin, Physical Review B (2012) 85.
DOI: 10.1103/physrevb.85.224415
Atomic positions from: ICSD #25834

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

Transition Temperature: 33.85 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
10.46000 6.10000 4.74400 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a' (#62.449) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm' (8.5.28)
    [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\|
Mn1	Mn	0.71830	0.75000	0.02810	4	m_x,0,m_z	-3.9	0.0	0.0	3.90

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.71830	0.75000	0.02810	m_x,0,m_z	-3.90000
2	0.21830	0.75000	0.47190	m_x,0,-m_z	-3.90000
3	0.28170	0.25000	0.97190	-m_x,0,-m_z	3.90000
4	0.78170	0.25000	0.52810	-m_x,0,m_z	3.90000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action
mGM1-	1	1	primary

Comments:

NSD
the spins flop from the x to the z direction (Pnm'a) with field along a

Comments (symmetry):

1k magnetic structure
k-maximal magnetic structure (8 possible)

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

LiMnPO4 (#0.24)

LiMnPO₄ (#0.24)