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	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
3	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
4	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,z,+1	m_1-10
3	-x,-y,z,-1	2'₀₀₁
4	-y,-x,z,-1	m'₁₁₀

Reference: V. Hutanu, A. Sazonov, M. Meven, H. Murakawa, Y. Tokura, S. Bordacs, I. Kezsmarki and B. Nafradi, Physical Review B (2012) 86.
DOI: 10.1103/physrevb.86.104401
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-42₁m (#113)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 6.7 K
Experiment Temperature: 2.2 K

Lattice parameters of the magnetic unit cell:
8.46600 8.46600 5.44500 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cm'm2' (#35.167) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+b,-a+b,c;1/2,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm2' (7.3.22)
    [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\|
Co	Co	0.00000	0.00000	0.00000	2	m_x,m_y,0	2.05	2.05	0.0	2.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba_1	Ba	0.83464	0.33466	0.50765	2
Ba_2	Ba	0.33464	0.16536	0.49235	2
Ge_1	Ge	0.64073	0.14073	0.95981	2
Ge_2	Ge	0.14073	0.35927	0.04019	2
O1_1	O	0.00000	0.50000	0.15942	1
O1_2	O	0.50000	0.00000	0.84058	1
O2_1	O	0.63791	0.13793	0.27045	2
O2_2	O	0.13791	0.36209	0.72955	2
O3_1	O	0.07906	0.18446	0.18857	4
O3_2	O	0.18446	0.92094	0.81143	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	2.05000	2.05000	0.00000
2	0.50000	0.50000	0.00000	-m_y,-m_x,0	-2.05000	-2.05000	0.00000

Atom	x	y	z
1	0.83464	0.33466	0.50765
2	0.16536	0.66534	0.50765

Atom	x	y	z
1	0.33464	0.16536	0.49235
2	0.66536	0.83464	0.49235

Atom	x	y	z
1	0.64073	0.14073	0.95981
2	0.35927	0.85927	0.95981

Atom	x	y	z
1	0.14073	0.35927	0.04019
2	0.85927	0.64073	0.04019

Atom	x	y	z
1	0.00000	0.50000	0.15942

Atom	x	y	z
1	0.50000	0.00000	0.84058

Atom	x	y	z
1	0.63791	0.13793	0.27045
2	0.36209	0.86207	0.27045

Atom	x	y	z
1	0.13791	0.36209	0.72955
2	0.86209	0.63791	0.72955

Atom	x	y	z
1	0.07906	0.18446	0.18857
2	0.68446	0.57906	0.18857
3	0.92094	0.81554	0.18857
4	0.31554	0.42094	0.18857

Atom	x	y	z
1	0.18446	0.92094	0.81143
2	0.42094	0.68446	0.81143
3	0.81554	0.07906	0.81143
4	0.57906	0.31554	0.81143

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co	Co	0.00000	0.00000	0.00000	2	m_x,m_y,0	2.05	2.05	0.0	2.90

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	2.05000	2.05000	0.00000
2	0.50000	0.50000	0.00000	-m_y,-m_x,0	-2.05000	-2.05000	0.00000

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action
mGM5	2	2	special	primary

Comments:

Co moment 2.9(1). Moment components given with non-significant digits to yield this modulus approx.
Multiferroic
Polar along z
Expected weak FM canting along (1,-1,0)

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
expected weak FM canting belongs to the same irrep

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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

Ba2CoGe2O7 (#0.56)

Ba₂CoGe₂O₇ (#0.56)