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	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
4	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
7	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
8	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 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	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-2.6	1.6	3.05
Mn2	Mn	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-3.4	-0.7	3.47
Mn3	Mn	0.26800	0.28000	-0.01100	8	m_x,m_y,m_z	3.2	-1.4	3.49
Mn4	Mn	0.28800	0.00900	0.24600	8	m_x,m_y,m_z	3.	1.3	3.27
Mn5	Mn	0.01200	0.23700	0.28330	8	m_x,m_y,m_z	-3.5	-2.3	4.19

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.42760	0.12400	0.35020	8
O2	O	0.13950	0.35130	0.40740	8
O3	O	0.35860	0.41690	0.12090	8
O4	O	0.07380	0.37120	0.13850	8
O5	O	0.38210	0.15090	0.08030	8
O6	O	0.15630	0.08820	0.35860	8

[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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-2.60000	1.60000
2	0.50000	0.50000	0.00000	m_x,-m_y,-m_z	-2.60000	-1.60000
3	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	2.60000	-1.60000
4	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	2.60000	1.60000

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_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	-3.40000	-0.70000
2	0.50000	0.50000	0.50000	m_x,-m_y,-m_z	-3.40000	0.70000
3	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	3.40000	0.70000
4	0.50000	0.00000	0.00000	-m_x,-m_y,m_z	3.40000	-0.70000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.26800	0.28000	0.98900	m_x,m_y,m_z	3.20000	-1.40000
2	0.76800	0.22000	0.01100	m_x,-m_y,-m_z	3.20000	1.40000
3	0.73200	0.78000	0.51100	-m_x,m_y,-m_z	-3.20000	1.40000
4	0.23200	0.72000	0.48900	-m_x,-m_y,m_z	-3.20000	-1.40000
5	0.73200	0.72000	0.01100	m_x,m_y,m_z	3.20000	-1.40000
6	0.23200	0.78000	0.98900	m_x,-m_y,-m_z	3.20000	1.40000
7	0.26800	0.22000	0.48900	-m_x,m_y,-m_z	-3.20000	1.40000
8	0.76800	0.28000	0.51100	-m_x,-m_y,m_z	-3.20000	-1.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.28800	0.00900	0.24600	m_x,m_y,m_z	3.00000	1.30000
2	0.78800	0.49100	0.75400	m_x,-m_y,-m_z	3.00000	-1.30000
3	0.71200	0.50900	0.25400	-m_x,m_y,-m_z	-3.00000	-1.30000
4	0.21200	0.99100	0.74600	-m_x,-m_y,m_z	-3.00000	1.30000
5	0.71200	0.99100	0.75400	m_x,m_y,m_z	3.00000	1.30000
6	0.21200	0.50900	0.24600	m_x,-m_y,-m_z	3.00000	-1.30000
7	0.28800	0.49100	0.74600	-m_x,m_y,-m_z	-3.00000	-1.30000
8	0.78800	0.00900	0.25400	-m_x,-m_y,m_z	-3.00000	1.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.01200	0.23700	0.28330	m_x,m_y,m_z	-3.50000	-2.30000
2	0.51200	0.26300	0.71670	m_x,-m_y,-m_z	-3.50000	2.30000
3	0.98800	0.73700	0.21670	-m_x,m_y,-m_z	3.50000	2.30000
4	0.48800	0.76300	0.78330	-m_x,-m_y,m_z	3.50000	-2.30000
5	0.98800	0.76300	0.71670	m_x,m_y,m_z	-3.50000	-2.30000
6	0.48800	0.73700	0.28330	m_x,-m_y,-m_z	-3.50000	2.30000
7	0.01200	0.26300	0.78330	-m_x,m_y,-m_z	3.50000	2.30000
8	0.51200	0.23700	0.21670	-m_x,-m_y,m_z	3.50000	-2.30000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.42760	0.12400	0.35020
2	0.92760	0.37600	0.64980
3	0.57240	0.62400	0.14980
4	0.07240	0.87600	0.85020
5	0.57240	0.87600	0.64980
6	0.07240	0.62400	0.35020
7	0.42760	0.37600	0.85020
8	0.92760	0.12400	0.14980

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

Atom	x	y	z
1	0.13950	0.35130	0.40740
2	0.63950	0.14870	0.59260
3	0.86050	0.85130	0.09260
4	0.36050	0.64870	0.90740
5	0.86050	0.64870	0.59260
6	0.36050	0.85130	0.40740
7	0.13950	0.14870	0.90740
8	0.63950	0.35130	0.09260

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.35860	0.41690	0.12090
2	0.85860	0.08310	0.87910
3	0.64140	0.91690	0.37910
4	0.14140	0.58310	0.62090
5	0.64140	0.58310	0.87910
6	0.14140	0.91690	0.12090
7	0.35860	0.08310	0.62090
8	0.85860	0.41690	0.37910

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

Atom	x	y	z
1	0.07380	0.37120	0.13850
2	0.57380	0.12880	0.86150
3	0.92620	0.87120	0.36150
4	0.42620	0.62880	0.63850
5	0.92620	0.62880	0.86150
6	0.42620	0.87120	0.13850
7	0.07380	0.12880	0.63850
8	0.57380	0.37120	0.36150

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.38210	0.15090	0.08030
2	0.88210	0.34910	0.91970
3	0.61790	0.65090	0.41970
4	0.11790	0.84910	0.58030
5	0.61790	0.84910	0.91970
6	0.11790	0.65090	0.08030
7	0.38210	0.34910	0.58030
8	0.88210	0.15090	0.41970

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.15630	0.08820	0.35860
2	0.65630	0.41180	0.64140
3	0.84370	0.58820	0.14140
4	0.34370	0.91180	0.85860
5	0.84370	0.91180	0.64140
6	0.34370	0.58820	0.35860
7	0.15630	0.41180	0.85860
8	0.65630	0.08820	0.14140

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-2.6	1.6	3.05
Mn2	Mn	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-3.4	-0.7	3.47
Mn3	Mn	0.26800	0.28000	-0.01100	8	m_x,m_y,m_z	3.2	-1.4	3.49
Mn4	Mn	0.28800	0.00900	0.24600	8	m_x,m_y,m_z	3.	1.3	3.27
Mn5	Mn	0.01200	0.23700	0.28330	8	m_x,m_y,m_z	-3.5	-2.3	4.19

[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: