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+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 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+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Pt1	Pt	0.03340	0.25000	0.66200	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.17700	0.25000	0.14800	m_x,0,m_z	-4.99000	6.38000
2	0.32300	0.75000	0.64800	-m_x,0,m_z	4.99000	6.38000
3	0.82300	0.75000	0.85200	m_x,0,m_z	-4.99000	6.38000
4	0.67700	0.25000	0.35200	-m_x,0,m_z	4.99000	6.38000

Atom	x	y	z
1	0.03340	0.25000	0.66200
2	0.46660	0.75000	0.16200
3	0.96660	0.75000	0.33800
4	0.53340	0.25000	0.83800

Reference: A. Castets, D. Gignoux, J.C. Gomez-Sal, JOURNAL OF SOLID STATE CHEMISTRY (1980) 31 197 - 207
DOI: 10.1016/0022-4596(80)90021-3
Atomic positions from: ICSD #10511

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 56 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
7.01300 4.49000 5.56400 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a (#62.446) (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'm'm (8.4.27)
    [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	0.17700	0.25000	0.14800	4	m_x,0,m_z	-4.99	0.0	6.38	8.10

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.17700	0.25000	0.14800	m_x,0,m_z	-4.99000	6.38000
2	0.32300	0.75000	0.64800	-m_x,0,m_z	4.99000	6.38000
3	0.82300	0.75000	0.85200	m_x,0,m_z	-4.99000	6.38000
4	0.67700	0.25000	0.35200	-m_x,0,m_z	4.99000	6.38000

[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 room temperature. The Tb and Pt positions have been corrected (they are erroneously interchanged in the paper and theICSD file).
FM along c
Moment components given with non-significant digits to yield the reported moment magnitude.

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

TbPt (#0.684)