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	Multiplicity
Si1	Si	0.02900	0.25000	0.61100	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.18000	0.25000	0.11800	m_x,0,m_z	2.79000	0.27000
2	0.68000	0.25000	0.38200	m_x,0,-m_z	2.79000	-0.27000
3	0.82000	0.75000	0.88200	m_x,0,m_z	2.79000	0.27000
4	0.32000	0.75000	0.61800	m_x,0,-m_z	2.79000	-0.27000

Atom	x	y	z
1	0.02900	0.25000	0.61100
2	0.52900	0.25000	0.88900
3	0.97100	0.75000	0.38900
4	0.47100	0.75000	0.11100

Reference: V. Nguyen, F. Tcheou and J. Rossat-Mignod, Solid State Communications (1977) 23 821-823.
DOI: 10.1016/0038-1098(77)90960-7
Atomic positions from: ICSD #42945

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

Transition Temperature: 54 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
8.24300 3.94100 5.91800 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\|
Pr1	Pr	0.18000	0.25000	0.11800	4	m_x,0,m_z	2.79	0.0	0.27	2.80

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.18000	0.25000	0.11800	m_x,0,m_z	2.79000	0.27000
2	0.68000	0.25000	0.38200	m_x,0,-m_z	2.79000	-0.27000
3	0.82000	0.75000	0.88200	m_x,0,m_z	2.79000	0.27000
4	0.32000	0.75000	0.61800	m_x,0,-m_z	2.79000	-0.27000

[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 determination at room temperature
FM along x
Nd1 moment modulus: 2.8(3), 6 degrees from the a axis
Nd1 moment components are here given with non-significant digits to yield the reported modulus

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary

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

PrSi (#0.408)