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,-x+y,-z,+1	{ 2₀₁₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,x-y,z,+1	{ m₀₁₀ \| 0 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-x,-x+y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
8	x,x-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-x+y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,x-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-x+y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,x-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
P1	P	0.33333	0.66667	0.36545	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	6.98000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	0,-m_y,0	0.00000	-6.98000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.18955	0,m_y,0	0.00000	0.00000	0.00000
2	0.66667	0.33334	0.81045	0,m_y,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.68955	0,-m_y,0	0.00000	0.00000	0.00000
4	0.66667	0.33334	0.31045	0,-m_y,0	0.00000	0.00000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.36545
2	0.66667	0.33334	0.63455
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.86545
4	0.66667	0.33334	0.13455

Reference: A.C. Payne, A.E. Sprauve, M.M. Olmstead, S.M. Kauzlarich, J.Y. Chan, B. Reisner and J. Lynn, Journal of Solid State Chemistry (2002) 163 498-505.
DOI: 10.1006/jssc.2001.9437
Atomic positions from: ICSD #51782

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 16.5 K
Experiment Temperature: 1.4 K

Lattice parameters of the magnetic unit cell:
4.1294 4.1294 13.9872 90.00 90.00 120.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_c2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2a+b,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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\|
Eu1	Eu	0.00000	0.00000	0.00000	2	0,m_y,0	0.0	6.98(35)	0.0	6.98
Mn1	Mn	0.33333	0.66667	0.18955	4	0,m_y,0	0.0	0.0	0.0	0.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	6.98000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	0,-m_y,0	0.00000	-6.98000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.18955	0,m_y,0	0.00000	0.00000	0.00000
2	0.66667	0.33334	0.81045	0,m_y,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.68955	0,-m_y,0	0.00000	0.00000	0.00000
4	0.66667	0.33334	0.31045	0,-m_y,0	0.00000	0.00000	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
mA3+	2	2	special	primary	2

Comments:

NSD
Position structure from a room temperature determination
Direction of the moment on the ab is undetermined. It is arbitrarily chosen along a direction of higher symmetry.

Comments (symmetry):

1k incommensurate structure
2-dim irrep along a special direction as primary

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

EuMn2P2 (#1.411)

EuMn₂P₂ (#1.411)