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+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	-x+1/2,-2x+y,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
4	x+1/2,2x-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x,-2x+y,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
8	x,2x-y,z,-1	{ m'₀₁₀ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-2x+y,z,+1	m₁₁₀
4	x,2x-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-2x+y,z,-1	m'₁₁₀
8	x,2x-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Cu1	Cu	0.16667	0.66667	0.81000	4
Sn1	Sn	0.16667	0.66667	0.22800	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	2m_y,m_y,m_z	0.00000	0.00000	6.00000
2	0.00000	0.00000	0.50000	-2m_y,-m_y,m_z	0.00000	0.00000	6.00000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000	-2m_y,-m_y,-m_z	0.00000	0.00000	-6.00000
4	0.50000	0.00000	0.50000	2m_y,m_y,-m_z	0.00000	0.00000	-6.00000

Atom	x	y	z
1	0.16667	0.66667	0.81000
2	0.83333	0.33333	0.31000
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.81000
4	0.33333	0.33333	0.31000

Atom	x	y	z
1	0.16667	0.66667	0.22800
2	0.83333	0.33333	0.72800
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.22800
4	0.33333	0.33333	0.72800

Reference: H. Ryan, J. M. Cadogan, V. I. Krylov, A. Legros, R. Rejali, C. D. Boyer, J. Phys.: Condens. Matter (2017) 29 495804
DOI: 10.1088/1361-648X/aa977a
Atomic positions from: ICSD #234581

Parent space group (paramagnetic phase): P6₃mc (#186)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 24 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
9.062 4.531(6) 7.333(11) 90.00 90.00 120.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_Cna2₁ (#33.154) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+b,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm2.1' (7.2.21)
    [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	0.00000	0.00000	0.00000	4	2m_y,m_y,m_z	0.0	0.0	6.0(2)	6.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	2m_y,m_y,m_z	0.00000	0.00000	6.00000
2	0.00000	0.00000	0.50000	-2m_y,-m_y,m_z	0.00000	0.00000	6.00000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000	-2m_y,-m_y,-m_z	0.00000	0.00000	-6.00000
4	0.50000	0.00000	0.50000	2m_y,m_y,-m_z	0.00000	0.00000	-6.00000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mM2	1	3	primary	2

Comments:

NPD
Position structure, except unit cell parameters, from a determination at 295K

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep as primary
The irrep star has 3 k-vectors. Alternative multi-k arrangements involving two or three k-vectors of the irrep star, which could equally fit the data, were not considered.

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

GdCuSn (#1.504)