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	{ -1 \| 0 }
3	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
4	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	-x,-y,-z,+1	-1
3	-y,-x,-z,-1	2'_1-10
4	y,x,z,-1	m'_1-10

Label	Atom type	x	y	z	Multiplicity
Mg1	Mg	0.50000	0.50000	0.25000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	6.50000	-0.80000	2.80000
2	0.00000	0.00000	0.50000	m_y,m_x,m_z	-0.80000	6.50000	2.80000

Atom	x	y	z
1	0.50000	0.50000	0.25000
2	0.50000	0.50000	0.75000

Reference: P. Morin, J. Pierre, D. Schmitt, D. Givord1, PHYSICS LETTERS (1978) 65A 156 - 158
DOI: 10.1016/0375-9601(78)90603-5
Atomic positions from: ICSD #635912

Parent space group (paramagnetic phase): Pm-3m (#221)
Propagation vector(s):
k1 (0, 0, 0)
k2 (0, 0, 1/2)

Transition Temperature: 110 K
Experiment Temperature: 12 K

Lattice parameters of the magnetic unit cell:
3.81200 3.81200 7.62400 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c' (#15.89) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+b,-a+b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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	2	m_x,m_y,m_z	6.5	-0.8	2.8	7.12

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	6.50000	-0.80000	2.80000
2	0.00000	0.00000	0.50000	m_y,m_x,m_z	-0.80000	6.50000	2.80000

[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
mGM4+	3	3	special	primary	2
mX5+	6	2	special	primary	1

Comments:

NPD
Position structure (cell parameter) used here is from another study at room temperature
Moment components only approximate. The Gd moment is given in the paper as: 5.1(3)*(1/2^0.5,1/2^0.5,0) + 4.9(3)*(1/3^0.5,1/3^0.5, 1/3^0.5).

Comments (symmetry):

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

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

GdMg (#2.70)