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,z,+1	{ m₀₁₀ \| 0 }
3	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
4	-x,-y,-z,-1	{ -1' \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
8	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,y,-z,-1	2'₀₁₀
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Si1	Si	0.21950	0.00000	0.40940	4
O1	O	0.00000	0.00000	0.50000	2
O2	O	0.37780	0.00000	0.71800	4
O3	O	0.73880	0.64990	0.21960	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.30550	0.00000	m_x,0,m_z	-1.86000	0.00000	6.06000
2	0.00000	0.69450	0.00000	-m_x,0,-m_z	1.86000	0.00000	-6.06000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.80550	0.00000	m_x,0,m_z	-1.86000	0.00000	6.06000
4	0.50000	0.19450	0.00000	-m_x,0,-m_z	1.86000	0.00000	-6.06000

Atom	x	y	z
1	0.21950	0.00000	0.40940
2	0.78050	0.00000	0.59060
(1/2,1/2,0) + set click here to show and hide
3	0.71950	0.50000	0.40940
4	0.28050	0.50000	0.59060

Atom	x	y	z
1	0.00000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.50000

Atom	x	y	z
1	0.37780	0.00000	0.71800
2	0.62220	0.00000	0.28200
(1/2,1/2,0) + set click here to show and hide
3	0.87780	0.50000	0.71800
4	0.12220	0.50000	0.28200

Atom	x	y	z
1	0.73880	0.64990	0.21960
2	0.73880	0.35010	0.21960
3	0.26120	0.64990	0.78040
4	0.26120	0.35010	0.78040
(1/2,1/2,0) + set click here to show and hide
5	0.23880	0.14990	0.21960
6	0.23880	0.85010	0.21960
7	0.76120	0.14990	0.78040
8	0.76120	0.85010	0.78040

Reference: G. Hester, T. N. DeLazzer, S. S. Lim, C. M. Brown, K. A. Ross, J. Phys.: Condens. Matter (2021) 33 125804
DOI: 10.1088/1361-648X/abd5f8
Atomic positions from: ICSD #74779

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 2.3 K
Experiment Temperature: 0.32 K

Lattice parameters of the magnetic unit cell:
6.84910 8.93950 4.72220 90.00 101.81 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m (#12.60) (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: 2'/m (5.3.14)
    [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\|
Er1	Er	0.00000	0.30550	0.00000	4	m_x,0,m_z	-1.86	0.0	6.06	6.69

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.30550	0.00000	m_x,0,m_z	-1.86000	0.00000	6.06000
2	0.00000	0.69450	0.00000	-m_x,0,-m_z	1.86000	0.00000	-6.06000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.80550	0.00000	m_x,0,m_z	-1.86000	0.00000	6.06000
4	0.50000	0.19450	0.00000	-m_x,0,-m_z	1.86000	0.00000	-6.06000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	2

Comments:

NPD
Position structure is not given. Here the one determined at room temperature by another study is used.

Comments (symmetry):

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

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

Er2Si2O7 (#0.650)

Er₂Si₂O₇ (#0.650)