MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,y,-z,+1	{ m₀₀₁ \| 0 }
3	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
4	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,y,-z,+1	m₀₀₁
3	x,-y,-z,+1	2₁₀₀
4	x,-y,z,+1	m₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1	Mn	0.0013	0.00166	0.1262	4	m_x,m_y,m_z	3.3	3.30
Mn2	Mn	0.0016	0.00802	0.6229	4	m_x,m_y,m_z	2.5	2.50
Mn3	Mn	0.2507	0.5032	0.1223	4	m_x,m_y,m_z	2.9	2.90
Mn4	Mn	0.2518	0.4992	0.6216	4	m_x,m_y,m_z	2.9	2.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nd1	Nd	0.0053	0.4994	0.0	2
Nd2	Nd	0.0067	0.5014	0.5	2
Nd3	Nd	0.2486	0.9974	0.0	2
Nd4	Nd	0.2475	0.00688	0.5	2
Ba1	Ba	0.0035	0.50498	0.2509	4
Ba2	Ba	0.2519	0.002	0.2513	4
O1	O	0.0196	0.0014	0.0	2
O2	O	0.02195	0.04756	0.5	2
O3	O	0.2319	0.5202	0.0	2
O4	O	0.2335	0.4798	0.5	2
O5	O	0.9925	0.0018	0.2512	4
O6	O	0.2587	0.50272	0.2487	4
O7	O	0.1291	0.26	0.1193	4
O8	O	0.12513	0.26284	0.62457	4
O9	O	0.3721	0.2604	0.1078	4
O10	O	0.38259	0.22896	0.60545	4
O11	O	0.1248	0.7522	0.12165	4
O12	O	0.12252	0.76976	0.61495	4
O13	O	0.3762	0.7492	0.1076	4
O14	O	0.37475	0.73702	0.6089	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.00130	0.00166	0.12620	m_x,m_y,m_z	3.30000
2	0.00130	0.00166	0.87380	-m_x,-m_y,m_z	-3.30000
3	0.50130	0.99834	0.87380	m_x,-m_y,-m_z	-3.30000
4	0.50130	0.99834	0.12620	-m_x,m_y,-m_z	3.30000

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

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.00160	0.00802	0.62290	m_x,m_y,m_z	2.50000
2	0.00160	0.00802	0.37710	-m_x,-m_y,m_z	-2.50000
3	0.50160	0.99198	0.37710	m_x,-m_y,-m_z	-2.50000
4	0.50160	0.99198	0.62290	-m_x,m_y,-m_z	2.50000

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

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.25070	0.50320	0.12230	m_x,m_y,m_z	2.90000
2	0.25070	0.50320	0.87770	-m_x,-m_y,m_z	-2.90000
3	0.75070	0.49680	0.87770	m_x,-m_y,-m_z	-2.90000
4	0.75070	0.49680	0.12230	-m_x,m_y,-m_z	2.90000

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

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.25180	0.49920	0.62160	m_x,m_y,m_z	2.90000
2	0.25180	0.49920	0.37840	-m_x,-m_y,m_z	-2.90000
3	0.75180	0.50080	0.37840	m_x,-m_y,-m_z	-2.90000
4	0.75180	0.50080	0.62160	-m_x,m_y,-m_z	2.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nd1:

Atom	x	y	z
1	0.00530	0.49940	0.00000
2	0.50530	0.50060	0.00000

Set of atoms in the unit cell related by symmetry with the atom Nd2:

Atom	x	y	z
1	0.00670	0.50140	0.50000
2	0.50670	0.49860	0.50000

Set of atoms in the unit cell related by symmetry with the atom Nd3:

Atom	x	y	z
1	0.24860	0.99740	0.00000
2	0.74860	0.00260	0.00000

Set of atoms in the unit cell related by symmetry with the atom Nd4:

Atom	x	y	z
1	0.24750	0.00688	0.50000
2	0.74750	0.99312	0.50000

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

Atom	x	y	z
1	0.00350	0.50498	0.25090
2	0.00350	0.50498	0.74910
3	0.50350	0.49502	0.74910
4	0.50350	0.49502	0.25090

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.25190	0.00200	0.25130
2	0.25190	0.00200	0.74870
3	0.75190	0.99800	0.74870
4	0.75190	0.99800	0.25130

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

Atom	x	y	z
1	0.01960	0.00140	0.00000
2	0.51960	0.99860	0.00000

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

Atom	x	y	z
1	0.02195	0.04756	0.50000
2	0.52195	0.95244	0.50000

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

Atom	x	y	z
1	0.23190	0.52020	0.00000
2	0.73190	0.47980	0.00000

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

Atom	x	y	z
1	0.23350	0.47980	0.50000
2	0.73350	0.52020	0.50000

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

Atom	x	y	z
1	0.99250	0.00180	0.25120
2	0.99250	0.00180	0.74880
3	0.49250	0.99820	0.74880
4	0.49250	0.99820	0.25120

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

Atom	x	y	z
1	0.25870	0.50272	0.24870
2	0.25870	0.50272	0.75130
3	0.75870	0.49728	0.75130
4	0.75870	0.49728	0.24870

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.12910	0.26000	0.11930
2	0.12910	0.26000	0.88070
3	0.62910	0.74000	0.88070
4	0.62910	0.74000	0.11930

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.12513	0.26284	0.62457
2	0.12513	0.26284	0.37543
3	0.62513	0.73716	0.37543
4	0.62513	0.73716	0.62457

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.37210	0.26040	0.10780
2	0.37210	0.26040	0.89220
3	0.87210	0.73960	0.89220
4	0.87210	0.73960	0.10780

Set of atoms in the unit cell related by symmetry with the atom O10:

Atom	x	y	z
1	0.38259	0.22896	0.60545
2	0.38259	0.22896	0.39455
3	0.88259	0.77104	0.39455
4	0.88259	0.77104	0.60545

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.12480	0.75220	0.12165
2	0.12480	0.75220	0.87835
3	0.62480	0.24780	0.87835
4	0.62480	0.24780	0.12165

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.12252	0.76976	0.61495
2	0.12252	0.76976	0.38505
3	0.62252	0.23024	0.38505
4	0.62252	0.23024	0.61495

Set of atoms in the unit cell related by symmetry with the atom O13:

Atom	x	y	z
1	0.37620	0.74920	0.10760
2	0.37620	0.74920	0.89240
3	0.87620	0.25080	0.89240
4	0.87620	0.25080	0.10760

Set of atoms in the unit cell related by symmetry with the atom O14:

Atom	x	y	z
1	0.37475	0.73702	0.60890
2	0.37475	0.73702	0.39110
3	0.87475	0.26298	0.39110
4	0.87475	0.26298	0.60890

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1	Mn	0.0013	0.00166	0.1262	4	m_x,m_y,m_z	3.3	3.30
Mn2	Mn	0.0016	0.00802	0.6229	4	m_x,m_y,m_z	2.5	2.50
Mn3	Mn	0.2507	0.5032	0.1223	4	m_x,m_y,m_z	2.9	2.90
Mn4	Mn	0.2518	0.4992	0.6216	4	m_x,m_y,m_z	2.9	2.90

[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: