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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z,-1	{ -1' \| 0 }
4	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 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	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
P1	P	0.26020	0.43270	0.10050	4
O1	O	0.27780	0.75470	0.10420	4
O2	O	0.25330	0.18100	0.46380	4
O3	O	0.07160	0.32450	0.18200	4
O4	O	0.46800	0.28520	0.16270	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	0,0,0	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000	0,0,0	0.00000	0.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.23750	0.98480	0.28210	m_x,m_y,m_z	-4.31000
2	0.76250	0.48480	0.21790	-m_x,m_y,-m_z	4.31000
3	0.76250	0.01520	0.71790	-m_x,-m_y,-m_z	4.31000
4	0.23750	0.51520	0.78210	m_x,-m_y,m_z	-4.31000

Atom	x	y	z
1	0.26020	0.43270	0.10050
2	0.73980	0.93270	0.39950
3	0.73980	0.56730	0.89950
4	0.26020	0.06730	0.60050

Atom	x	y	z
1	0.27780	0.75470	0.10420
2	0.72220	0.25470	0.39580
3	0.72220	0.24530	0.89580
4	0.27780	0.74530	0.60420

Atom	x	y	z
1	0.25330	0.18100	0.46380
2	0.74670	0.68100	0.03620
3	0.74670	0.81900	0.53620
4	0.25330	0.31900	0.96380

Atom	x	y	z
1	0.07160	0.32450	0.18200
2	0.92840	0.82450	0.31800
3	0.92840	0.67550	0.81800
4	0.07160	0.17550	0.68200

Atom	x	y	z
1	0.46800	0.28520	0.16270
2	0.53200	0.78520	0.33730
3	0.53200	0.71480	0.83730
4	0.46800	0.21480	0.66270

Reference: J.K. Warner, A.K. Cheetham, A.G. Nord, R.B.V. Dreele and M. Yethiraj, Journal of Materials Chemistry (1992) 2 191.
DOI: 10.1039/jm9920200191
Atomic positions from: ICSD #72050

Parent space group (paramagnetic phase): P2₁/c (#14)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 44 K
Experiment Temperature: 10.1 K

Lattice parameters of the magnetic unit cell:
6.01370 4.77270 10.40520 90.00 90.94 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁/c' (#14.78) (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' (5.4.15)
    [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\|
Fe1	Fe	0.50000	0.00000	0.00000	2	0,0,0	0.0	0.0	0.0	0.00
Fe2	Fe	0.23750	0.98480	0.28210	4	m_x,m_y,m_z	-4.31	0.0	0.0	4.31

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	0,0,0	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000	0,0,0	0.00000	0.00000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.23750	0.98480	0.28210	m_x,m_y,m_z	-4.31000
2	0.76250	0.48480	0.21790	-m_x,m_y,-m_z	4.31000
3	0.76250	0.01520	0.71790	-m_x,-m_y,-m_z	4.31000
4	0.23750	0.51520	0.78210	m_x,-m_y,m_z	-4.31000

[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	3

Comments:

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active as primary
Linear magnetolectricity symmetry-allowed

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

Fe3(PO4)2 (#0.264)

Fe₃(PO₄)₂ (#0.264)