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,x,-z,+1	{ 2₁₁₀ \| 0 }
3	x,y,-z,-1	{ m'₀₀₁ \| 0 }
4	y,x,z,-1	{ m'_1-10 \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,-z,+1	2₁₁₀
3	y,x,z,-1	m'_1-10
4	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Ag1_1	Ag	0.25000	0.00000	0.00000	2
Ag1_2	Ag	0.75000	0.75000	0.00000	1
Ge1_1	Ge	0.333333	-0.333333	0.00000	2
Ge2_1	Ge	0.00000	0.00000	0.50000	1

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.57600	0.00000	0.50000	m_x,m_y,0	6.44000	0.00000	0.00000
2	0.00000	0.57600	0.50000	m_y,m_x,0	0.00000	6.44000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.42400	0.42400	0.50000	m_x,m_x,0	6.44000	6.44000	0.00000

Atom	x	y	z
1	0.25000	0.00000	0.00000
2	0.00000	0.25000	0.00000

Atom	x	y	z
1	0.75000	0.75000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.00000
2	0.66667	0.33333	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.50000

Reference: S. Baran, D. Kaczorowski, A. Arulraj, B. Penc and A. Szytula, Journal of Magnetism and Magnetic Materials (2009) 321 3256-3261.
DOI: 10.1016/j.jmmm.2009.05.064
Atomic positions from: ICSD #164587

Parent space group (paramagnetic phase): P-62m (#189)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 4.2 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
7.0260 7.0260 4.1430 90.0000 90.0000 120.0000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Am'm'2 (#38.191) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,-a+b,-a-b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'2 (7.4.23)
    [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\|
Tm1_1	Tm	-0.42400	0.00000	0.50000	2	m_x,m_y,0	6.44	0.0	0.0	6.44
Tm1_2	Tm	-0.57600	-0.57600	0.50000	1	m_x,m_x,0	6.44	6.44	0.0	6.44

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.57600	0.00000	0.50000	m_x,m_y,0	6.44000	0.00000	0.00000
2	0.00000	0.57600	0.50000	m_y,m_x,0	0.00000	6.44000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.42400	0.42400	0.50000	m_x,m_x,0	6.44000	6.44000	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
mGM6	2	2	special	primary	2
mGM2	1	1		secondary	1

Comments:

NPD
stabilized under magnetic field, no threshold value given

Comments (symmetry):

1k magnetic structure
secondary irrep (mGM2) allowed but not present. It corresponds to a possible non-zero my for Tm1_1

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

TmAgGe (#0.26)