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	{ m₀₁₀ \| 1/2 0 0 }
3	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
4	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
7	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
8	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,-y,z,-1	2'₀₀₁
4	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.11110	0.01180	0.49860	8
Ga1	Ga	0.25000	0.93310	0.03630	4
O1	O	0.99590	0.25450	0.25040	8
O2	O	0.14490	0.04190	0.00160	8
O3	O	0.25000	0.62590	0.11550	4

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,0	3.16000	0.00000	0.00000
2	0.50000	0.00000	0.00000	-m_x,m_y,0	-3.16000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	m_x,m_y,0	3.16000	0.00000	0.00000
4	0.00000	0.50000	0.50000	-m_x,m_y,0	-3.16000	0.00000	0.00000

Atom	x	y	z
1	0.11110	0.01180	0.49860
2	0.61110	0.98820	0.49860
3	0.88890	0.98820	0.49860
4	0.38890	0.01180	0.49860
(1/2,1/2,1/2) + set click here to show and hide
5	0.61110	0.51180	0.99860
6	0.11110	0.48820	0.99860
7	0.38890	0.48820	0.99860
8	0.88890	0.51180	0.99860

Atom	x	y	z
1	0.25000	0.93310	0.03630
2	0.75000	0.06690	0.03630
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.43310	0.53630
4	0.25000	0.56690	0.53630

Atom	x	y	z
1	0.99590	0.25450	0.25040
2	0.49590	0.74550	0.25040
3	0.00410	0.74550	0.25040
4	0.50410	0.25450	0.25040
(1/2,1/2,1/2) + set click here to show and hide
5	0.49590	0.75450	0.75040
6	0.99590	0.24550	0.75040
7	0.50410	0.24550	0.75040
8	0.00410	0.75450	0.75040

Atom	x	y	z
1	0.14490	0.04190	0.00160
2	0.64490	0.95810	0.00160
3	0.85510	0.95810	0.00160
4	0.35510	0.04190	0.00160
(1/2,1/2,1/2) + set click here to show and hide
5	0.64490	0.54190	0.50160
6	0.14490	0.45810	0.50160
7	0.35510	0.45810	0.50160
8	0.85510	0.54190	0.50160

Atom	x	y	z
1	0.25000	0.62590	0.11550
2	0.75000	0.37410	0.11550
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.12590	0.61550
4	0.25000	0.87410	0.61550

Reference: V. Yu. Pomjakushin, A. M. Balagurov, T. V. Elzhov, D. V. Sheptyakov, P. Fischer, D. I. Khomskii, V. Yu. Yushankhai, A. M. Abakumov, M. G. Rozova, E. V. Antipov, M. V. Lobanov, S. J. L. Billinge, PHYSICAL REVIEW B (2002) 66 184412
DOI: 10.1103/PhysRevB.66.184412
Atomic positions from: ICSD #98066

Parent space group (paramagnetic phase): Ima2 (#46)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 180 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
16.19710 5.52570 5.38630 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Im'a2' (#46.243) (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'm2' (7.3.22)
    [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	0.00000	0.00000	0.00000	4	m_x,m_y,0	3.16	0.0	0.0	3.16

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,0	3.16000	0.00000	0.00000
2	0.50000	0.00000	0.00000	-m_x,m_y,0	-3.16000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	m_x,m_y,0	3.16000	0.00000	0.00000
4	0.00000	0.50000	0.50000	-m_x,m_y,0	-3.16000	0.00000	0.00000

[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	2

Comments:

NPD
Position structure from a determination at 300K.
The MSG allows weak FM along y

Comments (symmetry):

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

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

Sr2MnGaO5 (#0.823)

Sr₂MnGaO₅ (#0.823)