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	{ m₁₀₀ \| 1/2 1/2 1/2 }
3	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
4	-x,-y,-z,-1	{ -1' \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,z,+1	m₁₀₀
3	x,-y,-z,-1	2'₁₀₀
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Re1	Re	0.286(1)	0.25000	0.1276(8)	4
C1	C	0.046(2)	0.25000	0.261(1)	4
C2	C	0.671(2)	0.25000	0.555(1)	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.82100	0.25000	0.05910	m_x,m_y,m_z	4.83000	0.37000	5.27000
2	0.67900	0.75000	0.55910	m_x,-m_y,-m_z	4.83000	-0.37000	-5.27000
3	0.32100	0.25000	0.44090	-m_x,m_y,m_z	-4.83000	0.37000	5.27000
4	0.17900	0.75000	0.94090	-m_x,-m_y,-m_z	-4.83000	-0.37000	-5.27000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.46300	0.25000	0.78500	m_x,m_y,m_z	2.03000	1.03000	7.33000
2	0.03700	0.75000	0.28500	m_x,-m_y,-m_z	2.03000	-1.03000	-7.33000
3	0.96300	0.25000	0.71500	-m_x,m_y,m_z	-2.03000	1.03000	7.33000
4	0.53700	0.75000	0.21500	-m_x,-m_y,-m_z	-2.03000	-1.03000	-7.33000

Atom	x	y	z
1	0.28600	0.25000	0.12760
2	0.21400	0.75000	0.62760
3	0.78600	0.25000	0.37240
4	0.71400	0.75000	0.87240

Atom	x	y	z
1	0.04600	0.25000	0.26100
2	0.45400	0.75000	0.76100
3	0.54600	0.25000	0.23900
4	0.95400	0.75000	0.73900

Atom	x	y	z
1	0.67100	0.25000	0.55500
2	0.82900	0.75000	0.05500
3	0.17100	0.25000	0.94500
4	0.32900	0.75000	0.44500

Reference: M. Reehuis, J. Rodriguez-Carvajal, M. Danebrock and W. Jeitschko, Journal of Magnetism and Magnetic Materials (1995) 151 273-282.
DOI: 10.1016/0304-8853(95)00315-0
Atomic positions from: same reference

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

Transition Temperature: 18 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
6.4999(3) 5.0297(2) 9.7245(5) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁'/c (#14.77) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,a,-b+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [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\|
Er1	Er	0.821(1)	0.25000	0.0591(7)	4	m_x,m_y,m_z	4.83(8)	0.37(15)	5.27(9)	7.16
Er2	Er	0.463(1)	0.25000	0.785(9)	4	m_x,m_y,m_z	2.03(11)	1.03(12)	7.33(10)	7.68

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.82100	0.25000	0.05910	m_x,m_y,m_z	4.83000	0.37000	5.27000
2	0.67900	0.75000	0.55910	m_x,-m_y,-m_z	4.83000	-0.37000	-5.27000
3	0.32100	0.25000	0.44090	-m_x,m_y,m_z	-4.83000	0.37000	5.27000
4	0.17900	0.75000	0.94090	-m_x,-m_y,-m_z	-4.83000	-0.37000	-5.27000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.46300	0.25000	0.78500	m_x,m_y,m_z	2.03000	1.03000	7.33000
2	0.03700	0.75000	0.28500	m_x,-m_y,-m_z	2.03000	-1.03000	-7.33000
3	0.96300	0.25000	0.71500	-m_x,m_y,m_z	-2.03000	1.03000	7.33000
4	0.53700	0.75000	0.21500	-m_x,-m_y,-m_z	-2.03000	-1.03000	-7.33000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4-	1	1	primary	4
mGM2-	1	1	primary	2

Comments:

Comments (symmetry):

1k magnetic structure
Two irreps as primary: two order parameters are involved in the sense of Landau theory

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

Er2ReC2 (#0.347)

Er₂ReC₂ (#0.347)