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	{ 2₀₁₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
4	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 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	m₁₀₀
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.74960	0.14890	0.75000	4
O1	O	0.78150	0.82010	0.75000	4
O2	O	0.87000	0.51670	0.75000	4
O3	O	0.99010	0.28550	0.75000	4
O4	O	0.57150	0.57780	0.75000	4

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.07370	0.61350	0.75000	0,0,m_z	-6.80000
2	0.42630	0.11350	0.25000	0,0,-m_z	6.80000
3	0.57370	0.88650	0.75000	0,0,m_z	-6.80000
4	0.92630	0.38650	0.25000	0,0,-m_z	6.80000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.08130	0.11160	0.75000	0,0,m_z	-4.59000
2	0.41870	0.61160	0.25000	0,0,-m_z	4.59000
3	0.58130	0.38840	0.75000	0,0,m_z	-4.59000
4	0.91870	0.88840	0.25000	0,0,-m_z	4.59000

Atom	x	y	z
1	0.74960	0.14890	0.75000
2	0.75040	0.64890	0.25000
3	0.24960	0.35110	0.75000
4	0.25040	0.85110	0.25000

Atom	x	y	z
1	0.78150	0.82010	0.75000
2	0.71850	0.32010	0.25000
3	0.28150	0.67990	0.75000
4	0.21850	0.17990	0.25000

Atom	x	y	z
1	0.87000	0.51670	0.75000
2	0.63000	0.01670	0.25000
3	0.37000	0.98330	0.75000
4	0.13000	0.48330	0.25000

Atom	x	y	z
1	0.99010	0.28550	0.75000
2	0.50990	0.78550	0.25000
3	0.49010	0.21450	0.75000
4	0.00990	0.71450	0.25000

Atom	x	y	z
1	0.57150	0.57780	0.75000
2	0.92850	0.07780	0.25000
3	0.07150	0.92220	0.75000
4	0.42850	0.42220	0.25000

Reference: N. Qureshi, B. Z. Malkin, S. X. M. Riberolles, C. Ritter, B. Ouladdiaf, G. Balakrishnan, M. Ciomaga Hatnean, O. A. Petrenko, PHYSICAL REVIEW B (2022) 105 014425
DOI: 10.1103/PhysRevB.105.014425
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pnma (#62) (non-standard)
Transformation to a standard setting: (a,-c,b;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 2.73 K
Experiment Temperature: 1.63 K

Lattice parameters of the magnetic unit cell:
10.10000 12.03950 3.46820 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pnma' (#62.445) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,-c,b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'mm (8.3.26)
    [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\|
Gd1	Gd	0.07370	0.61350	0.75000	4	0,0,m_z	0.0	0.0	-6.80(3)	6.80
Gd2	Gd	0.08130	0.11160	0.75000	4	0,0,m_z	0.0	0.0	-4.59(3)	4.59

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.07370	0.61350	0.75000	0,0,m_z	-6.80000
2	0.42630	0.11350	0.25000	0,0,-m_z	6.80000
3	0.57370	0.88650	0.75000	0,0,m_z	-6.80000
4	0.92630	0.38650	0.25000	0,0,-m_z	6.80000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.08130	0.11160	0.75000	0,0,m_z	-4.59000
2	0.41870	0.61160	0.25000	0,0,-m_z	4.59000
3	0.58130	0.38840	0.75000	0,0,m_z	-4.59000
4	0.91870	0.88840	0.25000	0,0,-m_z	4.59000

[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 from a determination at 4 K
Non-standard parent setting Pnam
Below 0.48K an additional incommensurate component with k=(0,0,0.42) is reported. The description of this incomensurate structure is however insufficient or ambiguous, and it could not be introduced in this database.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
The irrep label used here corresponds to the standard setting of the parent space group.

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

SrGd2O4 (#0.821)

SrGd₂O₄ (#0.821)