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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Cu1	Cu	0.37500	0.25000	0.00000	4
Sb1	Sb	0.37500	0.25000	0.50000	4
Sb2	Sb	0.12500	0.25000	0.16450	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.25000	0.74480	m_x,m_y,m_z	5.51500	5.51500	0.00000
2	0.37500	0.75000	0.25520	m_x,m_y,m_z	5.51500	5.51500	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.62500	0.25000	0.74480	-m_x,-m_y,-m_z	-5.51500	-5.51500	0.00000
4	0.87500	0.75000	0.25520	-m_x,-m_y,-m_z	-5.51500	-5.51500	0.00000

Atom	x	y	z
1	0.37500	0.25000	0.00000
2	0.12500	0.75000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.87500	0.25000	0.00000
4	0.62500	0.75000	0.00000

Atom	x	y	z
1	0.37500	0.25000	0.50000
2	0.12500	0.75000	0.50000
(1/2,0,0)' + set click here to show and hide
3	0.87500	0.25000	0.50000
4	0.62500	0.75000	0.50000

Atom	x	y	z
1	0.12500	0.25000	0.16450
2	0.37500	0.75000	0.83550
(1/2,0,0)' + set click here to show and hide
3	0.62500	0.25000	0.16450
4	0.87500	0.75000	0.83550

Reference: M. Kolenda, A. Oles, A. Szytula, Journal of Alloys and Compounds (2001) 322 55 - 58
DOI: 10.1016/S0925-8388(01)01194-X
Atomic positions from: ICSD #93339

Parent space group (paramagnetic phase): P4/nmm (#129)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 5 K
Experiment Temperature: 1.4 K

Lattice parameters of the magnetic unit cell:
8.50500 4.25250 9.87910 90.00 90.00 90.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_S-1 (#2.7) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,b,a;1/4,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (2.2.4)
    [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\|
Tb1	Tb	0.12500	0.25000	0.74480	4	m_x,m_y,m_z	5.515	5.515	0.0	7.80

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.25000	0.74480	m_x,m_y,m_z	5.51500	5.51500	0.00000
2	0.37500	0.75000	0.25520	m_x,m_y,m_z	5.51500	5.51500	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.62500	0.25000	0.74480	-m_x,-m_y,-m_z	-5.51500	-5.51500	0.00000
4	0.87500	0.75000	0.25520	-m_x,-m_y,-m_z	-5.51500	-5.51500	0.00000

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX1	4	2	special	primary	1
mX2	4	2	special	primary	2

Comments:

NPD
Other magnetic phases above 5K
Moment component given here with non-significant digits for conistency with the reported moment modulus.

Comments (symmetry):

1k magnetic structure
Two 2-dim small irreps as primary
The irrep star has to k-vectors. Possible alternative multi-k arrangements involving both k-vectors were not considered.

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https://www.cryst.ehu.es

For comments, please mail to
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MAGNDATA: A Collection of magnetic structures with portable cif-type files

TbCuSb2 (#1.596)

TbCuSb₂ (#1.596)