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 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,-1	-1'

Reference: G. Nenert, I. Kim, M. Isobe, C. Ritter, A.N. Vasiliev, K.H. Kim and Y. Ueda, Physical Review B (2010) 81 184408.
DOI: 10.1103/physrevb.81.184408
Atomic positions from: same reference

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

Lattice parameters of the magnetic unit cell:
9.5644 8.6985 5.2635 90.00 107.5076 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-1' (#2.6) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2b,-1/2a+1/2b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1' (2.3.5)
    [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]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.90840	0.25000	4	m_x,m_y,m_z	0.0	1.50(6)	1.75(6)	2.30

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.00000	0.30080	0.25000	4
O1_1	O	0.11419	0.07933	0.13740	4
O1_2	O	0.88581	0.07933	0.36260	4
O2_1	O	0.36058	0.25953	0.30530	4
O2_2	O	0.63942	0.25953	0.19470	4
O3_1	O	0.35395	0.01048	0.00950	4
O3_2	O	0.64605	0.01048	0.49050	4
Si1_1	Si	0.29280	0.09230	0.23400	4
Si1_2	Si	0.70720	0.09230	0.26600	4

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.90840	0.25000	m_x,m_y,m_z	0.00000	1.50000	1.75000
2	0.00000	0.09160	0.75000	-m_x,-m_y,-m_z	0.00000	-1.50000	-1.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.40840	0.25000	m_x,m_y,m_z	0.00000	1.50000	1.75000
4	0.50000	0.59160	0.75000	-m_x,-m_y,-m_z	0.00000	-1.50000	-1.75000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Na1:

Atom	x	y	z
1	0.00000	0.30080	0.25000
2	0.00000	0.69920	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.80080	0.25000
4	0.50000	0.19920	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.11419	0.07933	0.13740
2	0.88581	0.92067	0.86260
(1/2,1/2,0) + set click here to show and hide
3	0.61419	0.57933	0.13740
4	0.38581	0.42067	0.86260

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.88581	0.07933	0.36260
2	0.11419	0.92067	0.63740
(1/2,1/2,0) + set click here to show and hide
3	0.38581	0.57933	0.36260
4	0.61419	0.42067	0.63740

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.36058	0.25953	0.30530
2	0.63942	0.74047	0.69470
(1/2,1/2,0) + set click here to show and hide
3	0.86058	0.75953	0.30530
4	0.13942	0.24047	0.69470

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.63942	0.25953	0.19470
2	0.36058	0.74047	0.80530
(1/2,1/2,0) + set click here to show and hide
3	0.13942	0.75953	0.19470
4	0.86058	0.24047	0.80530

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.35395	0.01048	0.00950
2	0.64605	0.98952	0.99050
(1/2,1/2,0) + set click here to show and hide
3	0.85395	0.51048	0.00950
4	0.14605	0.48952	0.99050

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.64605	0.01048	0.49050
2	0.35395	0.98952	0.50950
(1/2,1/2,0) + set click here to show and hide
3	0.14605	0.51048	0.49050
4	0.85395	0.48952	0.50950

Set of atoms in the unit cell related by symmetry with the atom Si1_1:

Atom	x	y	z
1	0.29280	0.09230	0.23400
2	0.70720	0.90770	0.76600
(1/2,1/2,0) + set click here to show and hide
3	0.79280	0.59230	0.23400
4	0.20720	0.40770	0.76600

Set of atoms in the unit cell related by symmetry with the atom Si1_2:

Atom	x	y	z
1	0.70720	0.09230	0.26600
2	0.29280	0.90770	0.73400
(1/2,1/2,0) + set click here to show and hide
3	0.20720	0.59230	0.26600
4	0.79280	0.40770	0.73400

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.90840	0.25000	4	m_x,m_y,m_z	0.0	1.50(6)	1.75(6)	2.30

[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
mGM2-	1	1	primary	2

Comments:

NPD
Position structure from a determination at 10K

Comments (symmetry):

1k magnetic structure
two 1-dim irreps as primary
Symmetry-allowed linear magnetoelectricity

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

NaCrSi2O6 (#0.504)

NaCrSi₂O₆ (#0.504)