MAGNDATA - Collection of Magnetic Structures

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
(1/3,2/3,2/3) + set click here to show and hide
2	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
(2/3,1/3,1/3) + set click here to show and hide
3	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.49523	1.	3	m_x,m_y,m_z	4.62(3)	0.0	0.0	4.62
Mn2	Mn	0.00000	0.00000	0.00897	0.877	3	m_x,m_y,m_z	-4.62	0.0	0.0	4.62

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sc1	Sc	0.00000	0.00000	0.00897	0.123	3
Sb1	Sb	0.00000	0.00000	0.71563	1.	3
Sc2	Sc	0.00000	0.00000	0.22240	0.877	3
Mn3	Mn	0.00000	0.00000	0.22240	0.123	3
O1_1	O	0.64100	0.69500	0.29260	1.	3
O1_2	O	0.30500	0.94600	0.29260	1.	3
O1_3	O	0.05400	0.35900	0.29260	1.	3
O2_1	O	0.99800	0.62200	0.45550	1.	3
O2_2	O	0.37800	0.37600	0.45550	1.	3
O2_3	O	0.62400	0.00200	0.45550	1.	3

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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.49523	m_x,m_y,m_z	4.62000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.16190	m_x,m_y,m_z	4.62000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.82856	m_x,m_y,m_z	4.62000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00897	m_x,m_y,m_z	-4.62000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.67564	m_x,m_y,m_z	-4.62000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.34230	m_x,m_y,m_z	-4.62000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sc1:

Atom	x	y	z
1	0.00000	0.00000	0.00897
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.67564
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.34230

Set of atoms in the unit cell related by symmetry with the atom Sb1:

Atom	x	y	z
1	0.00000	0.00000	0.71563
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.38230
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.04896

Set of atoms in the unit cell related by symmetry with the atom Sc2:

Atom	x	y	z
1	0.00000	0.00000	0.22240
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.88907
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.55573

Set of atoms in the unit cell related by symmetry with the atom Mn3:

Atom	x	y	z
1	0.00000	0.00000	0.22240
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.88907
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.55573

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

Atom	x	y	z
1	0.64100	0.69500	0.29260
(1/3,2/3,2/3) + set click here to show and hide
2	0.97433	0.36167	0.95927
(2/3,1/3,1/3) + set click here to show and hide
3	0.30767	0.02833	0.62593

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

Atom	x	y	z
1	0.30500	0.94600	0.29260
(1/3,2/3,2/3) + set click here to show and hide
2	0.63833	0.61267	0.95927
(2/3,1/3,1/3) + set click here to show and hide
3	0.97167	0.27933	0.62593

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.05400	0.35900	0.29260
(1/3,2/3,2/3) + set click here to show and hide
2	0.38733	0.02567	0.95927
(2/3,1/3,1/3) + set click here to show and hide
3	0.72067	0.69233	0.62593

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.99800	0.62200	0.45550
(1/3,2/3,2/3) + set click here to show and hide
2	0.33133	0.28867	0.12217
(2/3,1/3,1/3) + set click here to show and hide
3	0.66467	0.95533	0.78883

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.37800	0.37600	0.45550
(1/3,2/3,2/3) + set click here to show and hide
2	0.71133	0.04267	0.12217
(2/3,1/3,1/3) + set click here to show and hide
3	0.04467	0.70933	0.78883

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.62400	0.00200	0.45550
(1/3,2/3,2/3) + set click here to show and hide
2	0.95733	0.66867	0.12217
(2/3,1/3,1/3) + set click here to show and hide
3	0.29067	0.33533	0.78883

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.49523	1.	3	m_x,m_y,m_z	4.62(3)	0.0	0.0	4.62
Mn2	Mn	0.00000	0.00000	0.00897	0.877	3	m_x,m_y,m_z	-4.62	0.0	0.0	4.62

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