MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

working...

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+3/4,+1	{ 2₁₀₀ \| 1/2 1/2 3/4 }
3	-x+1/2,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 1/2 1/2 1/4 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-y+1/2,x+1/2,z+1/4,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/4 }
6	y+1/2,-x+1/2,z+3/4,-1	{ 4'^-₀₀₁ \| 1/2 1/2 3/4 }
7	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
8	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 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	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-y,x,z,-1	4'⁺₀₀₁
6	y,-x,z,-1	4'^-₀₀₁
7	y,x,-z,-1	2'₁₁₀
8	-y,-x,-z,-1	2'_1-10

Label	Atom type	x	y	z	Multiplicity
Ge1	Ge	0.90080	0.15080	0.61810	8
O1	O	0.30280	0.30280	0.00000	4
O2	O	0.07440	0.96820	0.62470	8
O3	O	0.06630	0.33710	0.57190	8
O4	O	0.68390	0.14580	0.54560	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87430	0.35450	0.13600	m_x,m_y,m_z	2.15000	3.11000	-8.52000
2	0.37430	0.14550	0.61400	m_x,-m_y,-m_z	2.15000	-3.11000	8.52000
3	0.62570	0.85450	0.11400	-m_x,m_y,-m_z	-2.15000	3.11000	8.52000
4	0.12570	0.64550	0.63600	-m_x,-m_y,m_z	-2.15000	-3.11000	-8.52000
5	0.14550	0.37430	0.38600	m_y,-m_x,-m_z	3.11000	-2.15000	8.52000
6	0.85450	0.62570	0.88600	-m_y,m_x,-m_z	-3.11000	2.15000	8.52000
7	0.35450	0.87430	0.86400	-m_y,-m_x,m_z	-3.11000	-2.15000	-8.52000
8	0.64550	0.12570	0.36400	m_y,m_x,m_z	3.11000	2.15000	-8.52000

Atom	x	y	z
1	0.90080	0.15080	0.61810
2	0.40080	0.34920	0.13190
3	0.59920	0.65080	0.63190
4	0.09920	0.84920	0.11810
5	0.34920	0.40080	0.86810
6	0.65080	0.59920	0.36810
7	0.15080	0.90080	0.38190
8	0.84920	0.09920	0.88190

Atom	x	y	z
1	0.30280	0.30280	0.00000
2	0.80280	0.19720	0.75000
3	0.19720	0.80280	0.25000
4	0.69720	0.69720	0.50000

Atom	x	y	z
1	0.07440	0.96820	0.62470
2	0.57440	0.53180	0.12530
3	0.42560	0.46820	0.62530
4	0.92560	0.03180	0.12470
5	0.53180	0.57440	0.87470
6	0.46820	0.42560	0.37470
7	0.96820	0.07440	0.37530
8	0.03180	0.92560	0.87530

Atom	x	y	z
1	0.06630	0.33710	0.57190
2	0.56630	0.16290	0.17810
3	0.43370	0.83710	0.67810
4	0.93370	0.66290	0.07190
5	0.16290	0.56630	0.82190
6	0.83710	0.43370	0.32190
7	0.33710	0.06630	0.42810
8	0.66290	0.93370	0.92810

Atom	x	y	z
1	0.68390	0.14580	0.54560
2	0.18390	0.35420	0.20440
3	0.81610	0.64580	0.70440
4	0.31610	0.85420	0.04560
5	0.35420	0.18390	0.79560
6	0.64580	0.81610	0.29560
7	0.14580	0.68390	0.45440
8	0.85420	0.31610	0.95440

Reference: D. M. Pajerowski, K. M. Taddei, L. D. Sanjeewa, A. T. Savici, M. B. Stone, J. W. Kolis, PHYSICAL REVIEW B (2020) 101 014420
DOI: 10.1103/PhysRevB.101.014420
Atomic positions from: ICSD #19241

Parent space group (paramagnetic phase): P4₁2₁2 (#92)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 1.15 K
Experiment Temperature: 0.1 K

Lattice parameters of the magnetic unit cell:
6.78260 6.78260 12.33170 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P4₁'2₁2' (#92.113) (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: 4'22' (12.3.42)
    [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	0.87430	0.35450	0.13600	8	m_x,m_y,m_z	2.15	3.11	-8.52	9.32

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87430	0.35450	0.13600	m_x,m_y,m_z	2.15000	3.11000	-8.52000
2	0.37430	0.14550	0.61400	m_x,-m_y,-m_z	2.15000	-3.11000	8.52000
3	0.62570	0.85450	0.11400	-m_x,m_y,-m_z	-2.15000	3.11000	8.52000
4	0.12570	0.64550	0.63600	-m_x,-m_y,m_z	-2.15000	-3.11000	-8.52000
5	0.14550	0.37430	0.38600	m_y,-m_x,-m_z	3.11000	-2.15000	8.52000
6	0.85450	0.62570	0.88600	-m_y,m_x,-m_z	-3.11000	2.15000	8.52000
7	0.35450	0.87430	0.86400	-m_y,-m_x,m_z	-3.11000	-2.15000	-8.52000
8	0.64550	0.12570	0.36400	m_y,m_x,m_z	3.11000	2.15000	-8.52000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2	1	1	primary	3

Comments:

NPD
Positional structure from a determination at 0.5K by another work and retrieved from the ICSD

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary

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

For comments, please mail to
administrador.bcs@ehu.eus

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

Er2Ge2O7 (#0.942)

Er₂Ge₂O₇ (#0.942)