MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
5	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
8	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.5	4	m_x,m_y,0	1.6(4)	0.0	1.60
Fe2_1	Fe	0.00000	0.50000	0.25000	0.9	2	m_x,m_y,0	0.0	3.0(1)	3.00
Fe2_2	Fe	0.00000	0.50000	0.75000	0.9	2	m_x,m_y,0	0.0	-3.	3.00
Fe3	Fe	0.00010	0.27530	0.00000	0.44	8	m_x,m_y,m_z	-1.6	0.0	1.60
Fe4_1	Fe	0.74110	0.38630	0.25000	0.9	4	m_x,m_y,0	0.0	2.2(1)	2.20
Fe4_2	Fe	0.74110	0.38630	0.75000	0.9	4	m_x,m_y,0	0.0	-2.2	2.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Mn1	Mn	0.00000	0.00000	0.00000	0.5	4
Mn2_1	Mn	0.00000	0.50000	0.25000	0.1	2
Mn2_2	Mn	0.00000	0.50000	0.75000	0.1	2
Mn3	Mn	0.00010	0.27530	0.00000	0.56	8
Mn4_1	Mn	0.74110	0.38630	0.25000	0.1	4
Mn4_2	Mn	0.74110	0.38630	0.75000	0.1	4
B1_1	B	0.27100	0.36100	0.25000	1.	4
B1_2	B	0.27100	0.36100	0.75000	1.	4
O1_1	O	0.84300	0.04320	0.25000	1.	4
O1_2	O	0.84300	0.04320	0.75000	1.	4
O2	O	0.38520	0.07670	0.00000	1.	8
O3_1	O	0.62560	0.13860	0.25000	1.	4
O3_2	O	0.62560	0.13860	0.75000	1.	4
O4	O	0.11350	0.14100	0.00000	1.	8
O5_1	O	0.83800	0.23610	0.25000	1.	4
O5_2	O	0.83800	0.23610	0.75000	1.	4

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

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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.00000	0.00000	0.00000	m_x,m_y,0	1.60000
2	0.50000	0.50000	0.50000	m_x,-m_y,0	1.60000
3	0.00000	0.00000	0.50000	m_x,m_y,0	1.60000
4	0.50000	0.50000	0.00000	m_x,-m_y,0	1.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	m_x,m_y,0	0.00000	3.00000	0.00000
2	0.50000	0.00000	0.25000	m_x,-m_y,0	0.00000	-3.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.75000	m_x,m_y,0	0.00000	-3.00000	0.00000
2	0.50000	0.00000	0.75000	m_x,-m_y,0	0.00000	3.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.00010	0.27530	0.00000	m_x,m_y,m_z	-1.60000
2	0.50010	0.22470	0.50000	m_x,-m_y,-m_z	-1.60000
3	0.00000	0.72470	0.50000	m_x,m_y,m_z	-1.60000
4	0.49990	0.77530	0.00000	m_x,-m_y,-m_z	-1.60000
5	0.49990	0.77530	0.50000	m_x,-m_y,m_z	-1.60000
6	0.00000	0.72470	0.00000	m_x,m_y,-m_z	-1.60000
7	0.50010	0.22470	0.00000	m_x,-m_y,m_z	-1.60000
8	0.00010	0.27530	0.50000	m_x,m_y,-m_z	-1.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4_1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.74110	0.38630	0.25000	m_x,m_y,0	2.20000
2	0.24110	0.11370	0.25000	m_x,-m_y,0	-2.20000
3	0.25890	0.61370	0.25000	m_x,m_y,0	2.20000
4	0.75890	0.88630	0.25000	m_x,-m_y,0	-2.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4_2:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.74110	0.38630	0.75000	m_x,m_y,0	-2.20000
2	0.24110	0.11370	0.75000	m_x,-m_y,0	2.20000
3	0.25890	0.61370	0.75000	m_x,m_y,0	-2.20000
4	0.75890	0.88630	0.75000	m_x,-m_y,0	2.20000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Mn1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000
3	0.00000	0.00000	0.50000
4	0.50000	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Mn2_1:

Atom	x	y	z
1	0.00000	0.50000	0.25000
2	0.50000	0.00000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Mn2_2:

Atom	x	y	z
1	0.00000	0.50000	0.75000
2	0.50000	0.00000	0.75000

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

Atom	x	y	z
1	0.00010	0.27530	0.00000
2	0.50010	0.22470	0.50000
3	0.00000	0.72470	0.50000
4	0.49990	0.77530	0.00000
5	0.49990	0.77530	0.50000
6	0.00000	0.72470	0.00000
7	0.50010	0.22470	0.00000
8	0.00010	0.27530	0.50000

Set of atoms in the unit cell related by symmetry with the atom Mn4_1:

Atom	x	y	z
1	0.74110	0.38630	0.25000
2	0.24110	0.11370	0.25000
3	0.25890	0.61370	0.25000
4	0.75890	0.88630	0.25000

Set of atoms in the unit cell related by symmetry with the atom Mn4_2:

Atom	x	y	z
1	0.74110	0.38630	0.75000
2	0.24110	0.11370	0.75000
3	0.25890	0.61370	0.75000
4	0.75890	0.88630	0.75000

Set of atoms in the unit cell related by symmetry with the atom B1_1:

Atom	x	y	z
1	0.27100	0.36100	0.25000
2	0.77100	0.13900	0.25000
3	0.72900	0.63900	0.25000
4	0.22900	0.86100	0.25000

Set of atoms in the unit cell related by symmetry with the atom B1_2:

Atom	x	y	z
1	0.27100	0.36100	0.75000
2	0.77100	0.13900	0.75000
3	0.72900	0.63900	0.75000
4	0.22900	0.86100	0.75000

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

Atom	x	y	z
1	0.84300	0.04320	0.25000
2	0.34300	0.45680	0.25000
3	0.15700	0.95680	0.25000
4	0.65700	0.54320	0.25000

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

Atom	x	y	z
1	0.84300	0.04320	0.75000
2	0.34300	0.45680	0.75000
3	0.15700	0.95680	0.75000
4	0.65700	0.54320	0.75000

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.38520	0.07670	0.00000
2	0.88520	0.42330	0.50000
3	0.61480	0.92330	0.50000
4	0.11480	0.57670	0.00000
5	0.11480	0.57670	0.50000
6	0.61480	0.92330	0.00000
7	0.88520	0.42330	0.00000
8	0.38520	0.07670	0.50000

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.62560	0.13860	0.25000
2	0.12560	0.36140	0.25000
3	0.37440	0.86140	0.25000
4	0.87440	0.63860	0.25000

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.62560	0.13860	0.75000
2	0.12560	0.36140	0.75000
3	0.37440	0.86140	0.75000
4	0.87440	0.63860	0.75000

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.11350	0.14100	0.00000
2	0.61350	0.35900	0.50000
3	0.88650	0.85900	0.50000
4	0.38650	0.64100	0.00000
5	0.38650	0.64100	0.50000
6	0.88650	0.85900	0.00000
7	0.61350	0.35900	0.00000
8	0.11350	0.14100	0.50000

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.83800	0.23610	0.25000
2	0.33800	0.26390	0.25000
3	0.16200	0.76390	0.25000
4	0.66200	0.73610	0.25000

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.83800	0.23610	0.75000
2	0.33800	0.26390	0.75000
3	0.16200	0.76390	0.75000
4	0.66200	0.73610	0.75000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.5	4	m_x,m_y,0	1.6(4)	0.0	1.60
Fe2_1	Fe	0.00000	0.50000	0.25000	0.9	2	m_x,m_y,0	0.0	3.0(1)	3.00
Fe2_2	Fe	0.00000	0.50000	0.75000	0.9	2	m_x,m_y,0	0.0	-3.	3.00
Fe3	Fe	0.00010	0.27530	0.00000	0.44	8	m_x,m_y,m_z	-1.6	0.0	1.60
Fe4_1	Fe	0.74110	0.38630	0.25000	0.9	4	m_x,m_y,0	0.0	2.2(1)	2.20
Fe4_2	Fe	0.74110	0.38630	0.75000	0.9	4	m_x,m_y,0	0.0	-2.2	2.20

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: