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	{ 2₀₁₀ \| 0 0 1/2 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Occupancy	Multiplicity
Cu1	Cu	0.25000	0.68750	0.25000	0.19	4
W1	W	0.00000	0.18060	0.25000	1.	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.68750	0.25000	m_x,0,m_z	1.24000	0.00000	1.28000
2	0.25000	0.31250	0.75000	m_x,0,m_z	1.24000	0.00000	1.28000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.68750	0.25000	-m_x,0,-m_z	-1.24000	0.00000	-1.28000
4	0.75000	0.31250	0.75000	-m_x,0,-m_z	-1.24000	0.00000	-1.28000

Atom	x	y	z
1	0.25000	0.68750	0.25000
2	0.25000	0.31250	0.75000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.68750	0.25000
4	0.75000	0.31250	0.75000

Atom	x	y	z
1	0.00000	0.18060	0.25000
2	0.50000	0.81940	0.75000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.18060	0.25000
4	0.00000	0.81940	0.75000

Reference: C.M.N. Kumar, Y. Xiao, P. Lunkenheimer, A. Loidl and M. Ohl, Physical Review B (2015) 91 235149.
DOI: 10.1103/physrevb.91.235149
Atomic positions from: ICSD #257351

Parent space group (paramagnetic phase): P2/c (#13)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 17 K
Experiment Temperature: 13.5 K

Lattice parameters of the magnetic unit cell:
9.58920 5.76940 4.97080 90.00 91.58 90.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_a2/c (#13.70) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a-2c,b,a-c;1/4,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.68750	0.25000	0.81	4	m_x,0,m_z	1.24(7)	0.0	1.28(8)	1.76

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.68750	0.25000	m_x,0,m_z	1.24000	0.00000	1.28000
2	0.25000	0.31250	0.75000	m_x,0,m_z	1.24000	0.00000	1.28000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.68750	0.25000	-m_x,0,-m_z	-1.24000	0.00000	-1.28000
4	0.75000	0.31250	0.75000	-m_x,0,-m_z	-1.24000	0.00000	-1.28000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mY1-	1	1	primary	2

Comments:

NPD
Phase observed in the interval 17-11.5K. In other temperature intervals other incommensurate phases are reported. The incommensurate structures for this and other mixed compositions are also reported (unfortunately in a form impossible to translate into the standard format of this database)
Room temperature positions structure
Oxygen positions are missing. They are not given in the original reference.

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

Mn0.81Cu0.19WO4 (#1.315)

Mn_0.81Cu_0.19WO₄ (#1.315)