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	{ -1 \| 0 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 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	{ -1 \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.00000	0.30130	0.25000	4
Ge1	Ge	0.29070	0.09652	0.22790	8
O1	O	0.10523	0.08030	0.12860	8
O2	O	0.35960	0.27448	0.30800	8
O3	O	0.36270	0.01175	0.00660	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.91000	0.25000	m_x,0,m_z	0.00000	0.00000	1.85000
2	0.00000	0.09000	0.75000	m_x,0,m_z	0.00000	0.00000	1.85000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.41000	0.25000	m_x,0,m_z	0.00000	0.00000	1.85000
4	0.50000	0.59000	0.75000	m_x,0,m_z	0.00000	0.00000	1.85000

Atom	x	y	z
1	0.00000	0.30130	0.25000
2	0.00000	0.69870	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.80130	0.25000
4	0.50000	0.19870	0.75000

Atom	x	y	z
1	0.29070	0.09652	0.22790
2	0.70930	0.90348	0.77210
3	0.70930	0.09652	0.27210
4	0.29070	0.90348	0.72790
(1/2,1/2,0) + set click here to show and hide
5	0.79070	0.59652	0.22790
6	0.20930	0.40348	0.77210
7	0.20930	0.59652	0.27210
8	0.79070	0.40348	0.72790

Atom	x	y	z
1	0.10523	0.08030	0.12860
2	0.89477	0.91970	0.87140
3	0.89477	0.08030	0.37140
4	0.10523	0.91970	0.62860
(1/2,1/2,0) + set click here to show and hide
5	0.60523	0.58030	0.12860
6	0.39477	0.41970	0.87140
7	0.39477	0.58030	0.37140
8	0.60523	0.41970	0.62860

Atom	x	y	z
1	0.35960	0.27448	0.30800
2	0.64040	0.72552	0.69200
3	0.64040	0.27448	0.19200
4	0.35960	0.72552	0.80800
(1/2,1/2,0) + set click here to show and hide
5	0.85960	0.77448	0.30800
6	0.14040	0.22552	0.69200
7	0.14040	0.77448	0.19200
8	0.85960	0.22552	0.80800

Atom	x	y	z
1	0.36270	0.01175	0.00660
2	0.63730	0.98825	0.99340
3	0.63730	0.01175	0.49340
4	0.36270	0.98825	0.50660
(1/2,1/2,0) + set click here to show and hide
5	0.86270	0.51175	0.00660
6	0.13730	0.48825	0.99340
7	0.13730	0.51175	0.49340
8	0.86270	0.48825	0.50660

Reference: G. Nenert, C. Ritter, M. Isobe, O. Isnard, A.N. Vasiliev and Y. Ueda, Physical Review B (2009) 80 024402.
DOI: 10.1103/physrevb.80.024402
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/c (#15)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 6 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
9.91140 8.84940 5.45500 90.00 107.5934 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c' (#15.89) (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: 2'/m' (5.5.16)
    [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\|
Cr1	Cr	0.00000	0.91000	0.25000	4	m_x,0,m_z	0.0	0.0	1.85(4)	1.85

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.91000	0.25000	m_x,0,m_z	0.00000	0.00000	1.85000
2	0.00000	0.09000	0.75000	m_x,0,m_z	0.00000	0.00000	1.85000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.41000	0.25000	m_x,0,m_z	0.00000	0.00000	1.85000
4	0.50000	0.59000	0.75000	m_x,0,m_z	0.00000	0.00000	1.85000

[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	2

Comments:

NPD
Positional structure from an experiment at room temperature

Comments (symmetry):

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

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

NaCrGe2O6 (#0.297)

NaCrGe₂O₆ (#0.297)