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+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
8	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	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Ge1	Ge	0.77420	0.25000	0.62040	4

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.15250	0.25000	0.58320	m_x,0,m_z	0.63000
2	0.34750	0.75000	0.08320	-m_x,0,m_z	0.63000
3	0.84750	0.75000	0.41680	m_x,0,m_z	0.63000
4	0.65250	0.25000	0.91680	-m_x,0,m_z	0.63000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.03210	0.25000	0.19880	m_x,0,m_z	3.54000
2	0.46790	0.75000	0.69880	-m_x,0,m_z	3.54000
3	0.96790	0.75000	0.80120	m_x,0,m_z	3.54000
4	0.53210	0.25000	0.30120	-m_x,0,m_z	3.54000

Atom	x	y	z
1	0.77420	0.25000	0.62040
2	0.72580	0.75000	0.12040
3	0.22580	0.75000	0.37960
4	0.27420	0.25000	0.87960

Reference: X. Miao, Y. Gong, L. Caron, Y. You, G. Xu, D. Sheptyakov, P. Manuel, F. Qian, Y. Zhang, F. Xu, N. van Dijk and E. Bruck, Physical Review Materials (2020) 4 104407.
DOI: 10.1103/physrevmaterials.4.104407
Atomic positions from: ICSD #52968

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 345 K
Experiment Temperature: 1.2 K

Lattice parameters of the magnetic unit cell:
5.9192(1) 3.8132(1) 7.0621(1) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a (#62.446) (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: 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\|
Co1	Co	0.15250	0.25000	0.58320	4	m_x,0,m_z	0.0	0.0	0.63(3)	0.63
Mn1	Mn	0.03210	0.25000	0.19880	4	m_x,0,m_z	0.0	0.0	3.54(3)	3.54

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.15250	0.25000	0.58320	m_x,0,m_z	0.63000
2	0.34750	0.75000	0.08320	-m_x,0,m_z	0.63000
3	0.84750	0.75000	0.41680	m_x,0,m_z	0.63000
4	0.65250	0.25000	0.91680	-m_x,0,m_z	0.63000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.03210	0.25000	0.19880	m_x,0,m_z	3.54000
2	0.46790	0.75000	0.69880	-m_x,0,m_z	3.54000
3	0.96790	0.75000	0.80120	m_x,0,m_z	3.54000
4	0.53210	0.25000	0.30120	-m_x,0,m_z	3.54000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	4

Comments:

NPD
Position structure, except unit cell parameters, from a determination at 4.2K by other work and retrieved from ICSD
A similar phase for a B added compound with composition MnCoGeB_0.01 is also reported, with moments 3.08(4) for Mn and 0.81(5) for Co.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary
FM along c
Ferromagnet

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

MnCoGe (#0.445)