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	Multiplicity
W1	W	0.00000	0.17860	0.25000	4
O1	O	0.11205	0.11050	0.92040	8
O2	O	0.13220	0.37720	0.39530	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.66160	0.25000	m_x,0,m_z	-0.75000	0.00000	-2.12000
2	0.25000	0.33840	0.75000	m_x,0,m_z	-0.75000	0.00000	-2.12000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.66160	0.25000	-m_x,0,-m_z	0.75000	0.00000	2.12000
4	0.75000	0.33840	0.75000	-m_x,0,-m_z	0.75000	0.00000	2.12000

Atom	x	y	z
1	0.00000	0.17860	0.25000
2	0.50000	0.82140	0.75000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.17860	0.25000
4	0.00000	0.82140	0.75000

Atom	x	y	z
1	0.11205	0.11050	0.92040
2	0.88795	0.11050	0.57960
3	0.38795	0.88950	0.07960
4	0.61205	0.88950	0.42040
(1/2,0,0)' + set click here to show and hide
5	0.61205	0.11050	0.92040
6	0.38795	0.11050	0.57960
7	0.88795	0.88950	0.07960
8	0.11205	0.88950	0.42040

Atom	x	y	z
1	0.13220	0.37720	0.39530
2	0.86780	0.37720	0.10470
3	0.36780	0.62280	0.60470
4	0.63220	0.62280	0.89530
(1/2,0,0)' + set click here to show and hide
5	0.63220	0.37720	0.39530
6	0.36780	0.37720	0.10470
7	0.86780	0.62280	0.60470
8	0.13220	0.62280	0.89530

Reference: M.A. Prosnikov, V.Y. Davydov, A.N. Smirnov, M.P. Volkov, R.V. Pisarev, P. Becker and L. Bohaty, Physical Review B (2017) 96 014428.
DOI: 10.1103/physrevb.96.014428
Atomic positions from: ICSD #15852

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

Transition Temperature: 62 K

Lattice parameters of the magnetic unit cell:
9.19840 5.66060 4.90680 90.00 90.03 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,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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.25000	0.66160	0.25000	4	m_x,0,m_z	-0.75	0.0	-2.12	2.25

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.66160	0.25000	m_x,0,m_z	-0.75000	0.00000	-2.12000
2	0.25000	0.33840	0.75000	m_x,0,m_z	-0.75000	0.00000	-2.12000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.66160	0.25000	-m_x,0,-m_z	0.75000	0.00000	2.12000
4	0.75000	0.33840	0.75000	-m_x,0,-m_z	0.75000	0.00000	2.12000

[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:

Magnetic structure originally determined in C. Wilkinson and M. J. Sprague, Z. Kristallogr. - Cryst. Mater.
145, 96 (1977).
Moment componets of Ni1 only approximate, estimated from modulus and angle given in the above reference

Comments (symmetry):

k-maximal magnetic symmetry (4 possible)
one single irrep active

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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

NiWO4 (#1.194)

NiWO₄ (#1.194)