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	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
3	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
4	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
5	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
8	y,x,z+1/2,-1	{ m'_1-10 \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,-x,-z,+1	2_1-10
3	-y,-x,z,+1	m₁₁₀
4	x,y,-z,+1	m₀₀₁
5	y,x,-z,-1	2'₁₁₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	y,x,z,-1	m'_1-10

Label	Atom type	x	y	z	Multiplicity
Sn1_1	Sn	0.16110	0.66110	0.00000	4
Sn1_2	Sn	0.33890	0.16110	0.00000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.00000	0.00000	0.25000	m_x,m_y,0	1.46000	0.74000
2	0.50000	0.50000	0.75000	-m_y,-m_x,0	-0.74000	-1.46000
3	0.00000	0.00000	0.75000	m_y,m_x,0	0.74000	1.46000
4	0.50000	0.50000	0.25000	-m_x,-m_y,0	-1.46000	-0.74000

Atom	x	y	z
1	0.16110	0.66110	0.00000
2	0.83890	0.33890	0.00000
3	0.33890	0.83890	0.50000
4	0.66110	0.16110	0.50000

Atom	x	y	z
1	0.33890	0.16110	0.00000
2	0.83890	0.66110	0.50000
3	0.66110	0.83890	0.00000
4	0.16110	0.33890	0.50000

Reference: G Venturini, D Fruchart, J Hubsch, G Le Caer, B Malaman, B Roques, J. Phys. F: Met. Phys. (1985) 15 427 - 438
DOI: 10.1088/0305-4608/15/2/016
Atomic positions from: ICSD #604017

Parent space group (paramagnetic phase): I4/mcm (#140)
Propagation vector(s):
k1 (1, 1, 1)
k2 (0, 0, 0)

Transition Temperature: 93 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
6.53700 6.53700 5.31600 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc'ca (#68.513) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a-b,a+b,c;1/4,3/4,1/4)
    [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\|
Fe1	Fe	0.00000	0.00000	0.25000	4	m_x,m_y,0	1.46	0.74	0.0	1.64

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.00000	0.00000	0.25000	m_x,m_y,0	1.46000	0.74000
2	0.50000	0.50000	0.75000	-m_y,-m_x,0	-0.74000	-1.46000
3	0.00000	0.00000	0.75000	m_y,m_x,0	0.74000	1.46000
4	0.50000	0.50000	0.25000	-m_x,-m_y,0	-1.46000	-0.74000

[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
mM5+	2	2	special	primary	1
mGM5-	2	2	special	primary	1

Comments:

NPD and Mossbauer spectrosc.
Position structure from a determination at room temperature in a different study.
This is a second magnetic phase as temperature is lowered. Below T_N= 378K, up to 93K, a magnetic ordering according to a single primary irrep (mM5+) is observed (see #1.556).
A rather different model for this structure was later proposed (1987) by the same authors (see #2.67).

Comments (symmetry):

2k magnetic structure
k-maximal symmetry
Two irreps as primary: two order parameters in the sense of Landau theory are involved.

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

FeSn2 (#2.66)

FeSn₂ (#2.66)