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+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
3	-x,-y,-z,-1	{ -1' \| 0 }
4	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	2₀₁₀
3	-x,-y,-z,-1	-1'
4	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.25000	0.25000	0.684(2)	2
Ge1	Ge	0.25000	0.25000	0.231(2)	2

Atom	x	y	z
1	0.25000	0.25000	0.68400
2	0.75000	0.75000	0.31600

Atom	x	y	z
1	0.25000	0.25000	0.23100
2	0.75000	0.75000	0.76900

Reference: R. Welter, G. Venturini, E. Ressouche, B. Malamana, Solid State Communications (1996) 97 503 - 507
DOI: 10.1016/0038-1098(95)00693-1
Atomic positions from: same reference

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

Transition Temperature: 420 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
4.242(3) 4.242 7.23(I) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁/m' (#11.53) (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: 2/m' (5.4.15)
    [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\|
Mn1	Mn	0.25000	0.75000	0.00000	1	m_x,0,m_z	-1.07	0.0	2.18	2.43

[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
mGM2-	1	1		primary	1
mGM5-	2	2	special	primary	1

Comments:

NPD
The orientation of the moment component on the basal plane is undetermined. Here a direction of maximal symmetry has been chosen.

Comments (symmetry):

1k magnetic structure
Two irreps as primary: this means that 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

CaMnGe (#0.602)