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

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

Label	Atom type	x	y	z	Multiplicity
As1	As	0.49310	0.00000	0.39150	8
As2	As	0.13820	0.22910	0.40110	16

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16380	0.00000	0.16635	0,m_y,0	0.00000	5.74000	0.00000
2	0.83620	0.00000	0.83365	0,m_y,0	0.00000	5.74000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.66380	0.50000	0.66635	0,m_y,0	0.00000	5.74000	0.00000
4	0.33620	0.50000	0.33365	0,m_y,0	0.00000	5.74000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.16380	0.00000	0.66635	0,-m_y,0	0.00000	-5.74000	0.00000
6	0.83620	0.00000	0.33365	0,-m_y,0	0.00000	-5.74000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.66380	0.50000	0.16635	0,-m_y,0	0.00000	-5.74000	0.00000
8	0.33620	0.50000	0.83365	0,-m_y,0	0.00000	-5.74000	0.00000

Atom	x	y	z
1	0.49310	0.00000	0.39150
2	0.50690	0.00000	0.60850
(1/2,1/2,1/2) + set click here to show and hide
3	0.99310	0.50000	0.89150
4	0.00690	0.50000	0.10850
(0,0,1/2)' + set click here to show and hide
5	0.49310	0.00000	0.89150
6	0.50690	0.00000	0.10850
(1/2,1/2,0)' + set click here to show and hide
7	0.99310	0.50000	0.39150
8	0.00690	0.50000	0.60850

Atom	x	y	z
1	0.13820	0.22910	0.40110
2	0.86180	0.22910	0.59890
3	0.86180	0.77090	0.59890
4	0.13820	0.77090	0.40110
(1/2,1/2,1/2) + set click here to show and hide
5	0.63820	0.72910	0.90110
6	0.36180	0.72910	0.09890
7	0.36180	0.27090	0.09890
8	0.63820	0.27090	0.90110
(0,0,1/2)' + set click here to show and hide
9	0.13820	0.22910	0.90110
10	0.86180	0.22910	0.09890
11	0.86180	0.77090	0.09890
12	0.13820	0.77090	0.90110
(1/2,1/2,0)' + set click here to show and hide
13	0.63820	0.72910	0.40110
14	0.36180	0.72910	0.59890
15	0.36180	0.27090	0.59890
16	0.63820	0.27090	0.40110

Reference: T. Chattopadhyay, H. v. Schnering and P. Brown, Journal of Magnetism and Magnetic Materials (1982) 28 247-249.
DOI: 10.1016/0304-8853(82)90056-7
Atomic positions from: ICSD #610425

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (1, 0, 1/2)

Transition Temperature: 10 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
9.47100 7.59800 11.55600 90.00 112.53 90.00
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: (a-c,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	0.16380	0.00000	0.16635	8	0,m_y,0	0.0	5.74(6)	0.0	5.74

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16380	0.00000	0.16635	0,m_y,0	0.00000	5.74000	0.00000
2	0.83620	0.00000	0.83365	0,m_y,0	0.00000	5.74000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.66380	0.50000	0.66635	0,m_y,0	0.00000	5.74000	0.00000
4	0.33620	0.50000	0.33365	0,m_y,0	0.00000	5.74000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.16380	0.00000	0.66635	0,-m_y,0	0.00000	-5.74000	0.00000
6	0.83620	0.00000	0.33365	0,-m_y,0	0.00000	-5.74000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.66380	0.50000	0.16635	0,-m_y,0	0.00000	-5.74000	0.00000
8	0.33620	0.50000	0.83365	0,-m_y,0	0.00000	-5.74000	0.00000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mM1+	1	1	primary	1

Comments:

NSD
Positional structure from a determination at room temperature retrieved from icsd
See also (Phys. Rev. Lett. 57, 372 (1986))

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
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MAGNDATA: A Collection of magnetic structures with portable cif-type files

EuAs3 (#1.339)

EuAs₃ (#1.339)