MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-y+1/2,x,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 0 1/2 }
3	y,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 0 1/2 1/2 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
7	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
8	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
(1/2,1/2,0)' + set click here to show and hide
9	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
10	-y,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 1/2 1/2 }
11	y+1/2,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 0 1/2 }
12	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
13	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
14	y,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 1/2 1/2 }
15	-y+1/2,x,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 0 1/2 }
16	x,y,-z,-1	{ m'₀₀₁ \| 0 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	y,-x,-z,+1	-4⁺₀₀₁
7	-y,x,-z,+1	-4^-₀₀₁
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,x,z,-1	4'⁺₀₀₁
11	y,-x,z,-1	4'^-₀₀₁
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	y,-x,-z,-1	-4'⁺₀₀₁
15	-y,x,-z,-1	-4'^-₀₀₁
16	x,y,-z,-1	m'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	4	m_x,m_y,0	3.89(3)	0.80(3)	0.0	3.97

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.41233	8
O1_1	O	0.25000	0.25000	0.00000	4
O1_2	O	0.25000	0.75000	0.00000	4
Ag1_1	Ag	0.25000	0.25000	0.25000	4
Ag1_2	Ag	0.25000	0.75000	0.25000	4
Se1	Se	0.00000	0.00000	0.16187	8

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 Co1:

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	3.89000	0.80000	0.00000
2	0.50000	0.00000	0.50000	-m_y,m_x,0	-0.80000	3.89000	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.00000	-m_x,-m_y,0	-3.89000	-0.80000	0.00000
4	0.00000	0.50000	0.50000	m_y,-m_x,0	0.80000	-3.89000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.00000	0.41233
2	0.50000	0.00000	0.91233
3	0.00000	0.00000	0.58767
4	0.50000	0.00000	0.08767
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.50000	0.41233
6	0.00000	0.50000	0.91233
7	0.50000	0.50000	0.58767
8	0.00000	0.50000	0.08767

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

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

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

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

Set of atoms in the unit cell related by symmetry with the atom Ag1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Ag1_2:

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

Set of atoms in the unit cell related by symmetry with the atom Se1:

Atom	x	y	z
1	0.00000	0.00000	0.16187
2	0.50000	0.00000	0.66187
3	0.00000	0.00000	0.83813
4	0.50000	0.00000	0.33813
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.50000	0.16187
6	0.00000	0.50000	0.66187
7	0.50000	0.50000	0.83813
8	0.00000	0.50000	0.33813

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	4	m_x,m_y,0	3.89(3)	0.80(3)	0.0	3.97

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