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+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	-x,y,z,+1	{ m₁₀₀ \| 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
7	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,z,+1	m₁₀₀
4	x,-y,z,+1	m₀₁₀

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.00000	0.06090	0.75000	1.	4	m_x,0,0	7.63(1)	0.0	0.0	7.63
Er2	Er	0.00000	0.17100	0.24900	1.	4	m_x,0,0	-7.63	0.0	0.0	7.63

Label	Atom type	y	z	Occupancy	Multiplicity
Ge1	Ge	0.35290	0.26800	1.	4
Ge2	Ge	0.40740	0.74400	1.	4
Ge3	Ge	0.24990	0.76500	1.	4
Ge4	Ge	0.51010	0.34700	0.64	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.06090	0.75000	m_x,0,0	7.63000	0.00000	0.00000
2	0.00000	0.93910	0.25000	-m_x,0,0	-7.63000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.56090	0.75000	m_x,0,0	7.63000	0.00000	0.00000
4	0.50000	0.43910	0.25000	-m_x,0,0	-7.63000	0.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.17100	0.24900	m_x,0,0	-7.63000	0.00000	0.00000
2	0.00000	0.82900	0.74900	-m_x,0,0	7.63000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.67100	0.24900	m_x,0,0	-7.63000	0.00000	0.00000
4	0.50000	0.32900	0.74900	-m_x,0,0	7.63000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.35290	0.26800
2	0.00000	0.64710	0.76800
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.85290	0.26800
4	0.50000	0.14710	0.76800

Atom	x	y	z
1	0.00000	0.40740	0.74400
2	0.00000	0.59260	0.24400
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.90740	0.74400
4	0.50000	0.09260	0.24400

Atom	x	y	z
1	0.00000	0.24990	0.76500
2	0.00000	0.75010	0.26500
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.74990	0.76500
4	0.50000	0.25010	0.26500

Atom	x	y	z
1	0.00000	0.51010	0.34700
2	0.00000	0.48990	0.84700
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.01010	0.34700
4	0.50000	0.98990	0.84700

Reference: O. Oleksyn, P. Schobinger-Papamantellos, C. Ritter, C. de Groot and K. Buschow, Journal of Alloys and Compounds (1997) 252 53-58.
DOI: 10.1016/s0925-8388(96)02714-4
Atomic positions from: ICSD #83919

Parent space group (paramagnetic phase): Cmc2₁ (#36)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 6 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
4.0523 29.485 3.8846 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cmc2₁ (#36.172) (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: mm2.1 (7.1.20)
    [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	0.00000	0.06090	0.75000	4	m_x,0,0	7.63(1)	0.0	0.0	7.63
Er2	Er	0.00000	0.17100	0.24900	4	m_x,0,0	-7.63	0.0	0.0	7.63

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.06090	0.75000	m_x,0,0	7.63000	0.00000	0.00000
2	0.00000	0.93910	0.25000	-m_x,0,0	-7.63000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.56090	0.75000	m_x,0,0	7.63000	0.00000	0.00000
4	0.50000	0.43910	0.25000	-m_x,0,0	-7.63000	0.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.17100	0.24900	m_x,0,0	-7.63000	0.00000	0.00000
2	0.00000	0.82900	0.74900	-m_x,0,0	7.63000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.67100	0.24900	m_x,0,0	-7.63000	0.00000	0.00000
4	0.50000	0.32900	0.74900	-m_x,0,0	7.63000	0.00000	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
mGM1	1	1	primary	1

Comments:

Comments (symmetry):

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

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

ErGe1.83 (#0.344)

ErGe_1.83 (#0.344)