MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

working...

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+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
5	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
8	x,y,-z+1/2,-1	{ m'₀₀₁ \| 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	-x,-y,-z,+1	-1
4	y,x,z,+1	m_1-10
5	y,x,-z,-1	2'₁₁₀
6	-x,-y,z,-1	2'₀₀₁
7	-y,-x,z,-1	m'₁₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Ge1	Ge	0.33333	0.66667	0.25000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.83400	0.66800	0.25000	m_x,m_y,0	3.06000	1.53000
2	0.33200	0.16600	0.25000	-m_y,-m_x,0	-1.53000	-3.06000
3	0.16600	0.33200	0.75000	m_x,m_y,0	3.06000	1.53000
4	0.66800	0.83400	0.75000	-m_y,-m_x,0	-1.53000	-3.06000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.83400	0.16600	0.25000	m_x,-m_x,0	-1.53000	1.53000	0.00000
2	0.16600	0.83400	0.75000	m_x,-m_x,0	-1.53000	1.53000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.25000
2	0.66667	0.33333	0.75000

Reference: J.-R. Soh, F. de Juan, N. Qureshi, H. Jacobsen, H.-Y. Wang, Y.-F. Guo and A.T. Boothroyd, Physical Review B (2020) 101 140411.
DOI: 10.1103/physrevb.101.140411
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6₃/mmc (#194)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 380 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
5.30200 5.30200 4.28900 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cm'cm' (#63.464) (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: 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\|
Mn1_1	Mn	0.83400	0.66800	0.25000	4	m_x,m_y,0	3.06	1.53	0.0	2.65
Mn1_2	Mn	0.83400	0.16600	0.25000	2	m_x,-m_x,0	-1.53	1.53	0.0	2.65

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.83400	0.66800	0.25000	m_x,m_y,0	3.06000	1.53000
2	0.33200	0.16600	0.25000	-m_y,-m_x,0	-1.53000	-3.06000
3	0.16600	0.33200	0.75000	m_x,m_y,0	3.06000	1.53000
4	0.66800	0.83400	0.75000	-m_y,-m_x,0	-1.53000	-3.06000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.83400	0.16600	0.25000	m_x,-m_x,0	-1.53000	1.53000	0.00000
2	0.16600	0.83400	0.75000	m_x,-m_x,0	-1.53000	1.53000	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	presence
mGM6+	2	2	special	primary	2
mGM4+	1	1		secondary	1	no

Comments:

Spherical neutron polarimetry
Position structure from a determination at room temperature
The model agrees with one of the two alternative models proposed in previous literature for the similar compound Mn3Sn (see #0.199 and #0.200), namely the one in #0.200.
Mn moment: 2.65(2)

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction as primary
The MSG allows FM along the direction (-1,1.0), for the domain orientation chosen in the present description, and along symmetry equivalent directions for the other domains.
Weak FM is detected with macroscopic measurements.
The FM on the ab plane is associated with the same irrep mGM6+ as the observed AFM arrangement

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus

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

Mn3Ge (#0.377)

Mn₃Ge (#0.377)