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+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
5	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
8	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.18500	0.25000	0.14300	1.	4	m_x,0,m_z	2.25	0.0	-1.3	2.60

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ni1	Ni	0.04100	0.25000	0.63400	0.6	4
Cu1	Cu	0.04100	0.25000	0.63400	0.4	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.18500	0.25000	0.14300	m_x,0,m_z	2.25000	-1.30000
2	0.68500	0.25000	0.35700	m_x,0,-m_z	2.25000	1.30000
3	0.81500	0.75000	0.85700	m_x,0,m_z	2.25000	-1.30000
4	0.31500	0.75000	0.64300	m_x,0,-m_z	2.25000	1.30000

Atom	x	y	z
1	0.04100	0.25000	0.63400
2	0.54100	0.25000	0.86600
3	0.95900	0.75000	0.36600
4	0.45900	0.75000	0.13400

Atom	x	y	z
1	0.04100	0.25000	0.63400
2	0.54100	0.25000	0.86600
3	0.95900	0.75000	0.36600
4	0.45900	0.75000	0.13400

Reference: J.G. Soldevilla, J.A. Blanco, J.R. Fernandez, J.I. Espeso, J.C.G. Sal, M.T. Fernandez-Diaz, J. Rodriguez-Carvajal and D. Paccard, Physical Review B (2004) 70 224411.
DOI: 10.1103/physrevb.70.224411
Atomic positions from: ICSD #246586

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

Transition Temperature: 37.5 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
7.19000 4.40100 5.51700 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pnm'a' (#62.447) (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\|
Nd1	Nd	0.18500	0.25000	0.14300	4	m_x,0,m_z	2.25	0.0	-1.3	2.60

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.18500	0.25000	0.14300	m_x,0,m_z	2.25000	-1.30000
2	0.68500	0.25000	0.35700	m_x,0,-m_z	2.25000	1.30000
3	0.81500	0.75000	0.85700	m_x,0,m_z	2.25000	-1.30000
4	0.31500	0.75000	0.64300	m_x,0,-m_z	2.25000	1.30000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3+	1	1	primary	2

Comments:

NPD
Positional structure from a measurement at 40K
For compositions NdNi1-xCux with x=0.8 or larger an incommensurate magnetic phase is reported

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active
Moment modulus Nd: 2.6

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

NdNi0.6Cu0.4 (#0.249)

NdNi_0.6Cu_0.4 (#0.249)