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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.0193(2)	0.0729(2)	0.2512(3)	4
O1	O	0.2986(4)	0.3154(4)	0.0515(3)	4
O2	O	0.3197(4)	0.2924(4)	0.4443(3)	4
O3	O	0.6059(3)	0.9661(3)	0.2557(3)	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.85000	0.33000	-2.78000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	0.85000	-0.33000	-2.78000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	0.85000	0.33000	-2.78000
2	0.50000	0.00000	0.50000	m_x,-m_y,m_z	0.85000	-0.33000	-2.78000

Atom	x	y	z
1	0.01930	0.07290	0.25120
2	0.98070	0.92710	0.74880
3	0.48070	0.57290	0.24880
4	0.51930	0.42710	0.75120

Atom	x	y	z
1	0.29860	0.31540	0.05150
2	0.70140	0.68460	0.94850
3	0.20140	0.81540	0.44850
4	0.79860	0.18460	0.55150

Atom	x	y	z
1	0.31970	0.29240	0.44430
2	0.68030	0.70760	0.55570
3	0.18030	0.79240	0.05570
4	0.81970	0.20760	0.94430

Atom	x	y	z
1	0.60590	0.96610	0.25570
2	0.39410	0.03390	0.74430
3	0.89410	0.46610	0.24430
4	0.10590	0.53390	0.75570

Reference: J. Blasco, J. Garcia, G. Subias, J. Stankiewicz, J.A. Rodriguez-Velamazan, C. Ritter, J.L. Garcia-Munoz and F. Fauth, Physical Review B (2016) 93.
DOI: 10.1103/physrevb.93.214401
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2₁/c (#14) (non-standard)
Transformation to a standard setting: (a,b,a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 80 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
5.21683(6) 5.56803(6) 7.44896(9) 90.00 89.760(1) 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁'/c' (#14.79) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,a+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\|
Co1	Co	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.85(6)	0.33(3)	-2.78(2)	2.92
Mn1	Mn	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	0.85	0.33	-2.78	2.92

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.85000	0.33000	-2.78000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	0.85000	-0.33000	-2.78000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	0.85000	0.33000	-2.78000
2	0.50000	0.00000	0.50000	m_x,-m_y,m_z	0.85000	-0.33000	-2.78000

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

Active Irreps:

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

Y2MnCoO6 (#0.164)

Y₂MnCoO₆ (#0.164)