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 }
2	-y,x,z,+1	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
6	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
7	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
8	-y,-x,-z+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
9	-x,-y,-z,+1	{ -1 \| 0 }
10	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
11	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
12	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
13	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
14	x,y,-z,+1	{ m₀₀₁ \| 0 }
15	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
16	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
17	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
18	-y+1/2,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/2 }
19	y+1/2,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 1/2 1/2 }
20	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
21	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
22	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
23	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
24	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
25	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
26	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
27	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
28	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
29	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
30	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
31	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
32	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }

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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	2₁₀₀
5	-x,y,-z,+1	2₀₁₀
6	-x,-y,z,+1	2₀₀₁
7	y,x,-z,+1	2₁₁₀
8	-y,-x,-z,+1	2_1-10
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	m₁₀₀
13	x,-y,z,+1	m₀₁₀
14	x,y,-z,+1	m₀₀₁
15	-y,-x,z,+1	m₁₁₀
16	y,x,z,+1	m_1-10
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	x,-y,-z,-1	2'₁₀₀
21	-x,y,-z,-1	2'₀₁₀
22	-x,-y,z,-1	2'₀₀₁
23	y,x,-z,-1	2'₁₁₀
24	-y,-x,-z,-1	2'_1-10
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	-x,y,z,-1	m'₁₀₀
29	x,-y,z,-1	m'₀₁₀
30	x,y,-z,-1	m'₀₀₁
31	-y,-x,z,-1	m'₁₁₀
32	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Nd1	Nd	0.00000	0.00000	0.10570	8	0,0,m_z	2.47(8)	2.47
Nd2	Nd	0.16290	0.66290	0.18690	16	m_x,m_x,m_z	1.94(5)	1.94
Fe1	Fe	0.00000	0.50000	0.00000	4	0,0,m_z	2.2(1)	2.20
Fe2	Fe	0.06620	0.20890	0.00000	16	0,0,m_z	2.4(1)	2.40
Fe3	Fe	0.17850	0.67850	0.05910	16	m_x,m_x,m_z	2.2(1)	2.20
Fe4	Fe	0.38650	0.88650	0.09450	16	m_x,m_x,m_z	2.32(7)	2.32

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sn1	Sn	0.00000	0.00000	0.25000	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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.10570	0,0,m_z	0.00000	0.00000	2.47000
2	0.00000	0.00000	0.39430	0,0,-m_z	0.00000	0.00000	-2.47000
3	0.00000	0.00000	0.89430	0,0,m_z	0.00000	0.00000	2.47000
4	0.00000	0.00000	0.60570	0,0,-m_z	0.00000	0.00000	-2.47000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.50000	0.60570	0,0,-m_z	0.00000	0.00000	-2.47000
6	0.50000	0.50000	0.89430	0,0,m_z	0.00000	0.00000	2.47000
7	0.50000	0.50000	0.39430	0,0,-m_z	0.00000	0.00000	-2.47000
8	0.50000	0.50000	0.10570	0,0,m_z	0.00000	0.00000	2.47000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16290	0.66290	0.18690	m_x,m_x,m_z	0.00000	0.00000	1.94000
2	0.33710	0.16290	0.18690	-m_x,m_x,m_z	0.00000	0.00000	1.94000
3	0.66290	0.83710	0.18690	m_x,-m_x,m_z	0.00000	0.00000	1.94000
4	0.16290	0.33710	0.31310	m_x,-m_x,-m_z	0.00000	0.00000	-1.94000
5	0.83710	0.66290	0.31310	-m_x,m_x,-m_z	0.00000	0.00000	-1.94000
6	0.83710	0.33710	0.18690	-m_x,-m_x,m_z	0.00000	0.00000	1.94000
7	0.66290	0.16290	0.31310	m_x,m_x,-m_z	0.00000	0.00000	-1.94000
8	0.33710	0.83710	0.31310	-m_x,-m_x,-m_z	0.00000	0.00000	-1.94000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.66290	0.16290	0.68690	-m_x,-m_x,-m_z	0.00000	0.00000	-1.94000
10	0.83710	0.66290	0.68690	m_x,-m_x,-m_z	0.00000	0.00000	-1.94000
11	0.16290	0.33710	0.68690	-m_x,m_x,-m_z	0.00000	0.00000	-1.94000
12	0.66290	0.83710	0.81310	-m_x,m_x,m_z	0.00000	0.00000	1.94000
13	0.33710	0.16290	0.81310	m_x,-m_x,m_z	0.00000	0.00000	1.94000
14	0.33710	0.83710	0.68690	m_x,m_x,-m_z	0.00000	0.00000	-1.94000
15	0.16290	0.66290	0.81310	-m_x,-m_x,m_z	0.00000	0.00000	1.94000
16	0.83710	0.33710	0.81310	m_x,m_x,m_z	0.00000	0.00000	1.94000

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	M_y	M_z
1	0.00000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	2.20000
2	0.50000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	2.20000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-2.20000
4	0.00000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-2.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.06620	0.20890	0.00000	0,0,m_z	0.00000	0.00000	2.40000
2	0.79110	0.06620	0.00000	0,0,m_z	0.00000	0.00000	2.40000
3	0.20890	0.93380	0.00000	0,0,m_z	0.00000	0.00000	2.40000
4	0.06620	0.79110	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
5	0.93380	0.20890	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
6	0.93380	0.79110	0.00000	0,0,m_z	0.00000	0.00000	2.40000
7	0.20890	0.06620	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
8	0.79110	0.93380	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.56620	0.70890	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
10	0.29110	0.56620	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
11	0.70890	0.43380	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
12	0.56620	0.29110	0.00000	0,0,m_z	0.00000	0.00000	2.40000
13	0.43380	0.70890	0.00000	0,0,m_z	0.00000	0.00000	2.40000
14	0.43380	0.29110	0.50000	0,0,-m_z	0.00000	0.00000	-2.40000
15	0.70890	0.56620	0.00000	0,0,m_z	0.00000	0.00000	2.40000
16	0.29110	0.43380	0.00000	0,0,m_z	0.00000	0.00000	2.40000

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	M_y	M_z
1	0.17850	0.67850	0.05910	m_x,m_x,m_z	0.00000	0.00000	2.20000
2	0.32150	0.17850	0.05910	-m_x,m_x,m_z	0.00000	0.00000	2.20000
3	0.67850	0.82150	0.05910	m_x,-m_x,m_z	0.00000	0.00000	2.20000
4	0.17850	0.32150	0.44090	m_x,-m_x,-m_z	0.00000	0.00000	-2.20000
5	0.82150	0.67850	0.44090	-m_x,m_x,-m_z	0.00000	0.00000	-2.20000
6	0.82150	0.32150	0.05910	-m_x,-m_x,m_z	0.00000	0.00000	2.20000
7	0.67850	0.17850	0.44090	m_x,m_x,-m_z	0.00000	0.00000	-2.20000
8	0.32150	0.82150	0.44090	-m_x,-m_x,-m_z	0.00000	0.00000	-2.20000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.67850	0.17850	0.55910	-m_x,-m_x,-m_z	0.00000	0.00000	-2.20000
10	0.82150	0.67850	0.55910	m_x,-m_x,-m_z	0.00000	0.00000	-2.20000
11	0.17850	0.32150	0.55910	-m_x,m_x,-m_z	0.00000	0.00000	-2.20000
12	0.67850	0.82150	0.94090	-m_x,m_x,m_z	0.00000	0.00000	2.20000
13	0.32150	0.17850	0.94090	m_x,-m_x,m_z	0.00000	0.00000	2.20000
14	0.32150	0.82150	0.55910	m_x,m_x,-m_z	0.00000	0.00000	-2.20000
15	0.17850	0.67850	0.94090	-m_x,-m_x,m_z	0.00000	0.00000	2.20000
16	0.82150	0.32150	0.94090	m_x,m_x,m_z	0.00000	0.00000	2.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.38650	0.88650	0.09450	m_x,m_x,m_z	0.00000	0.00000	2.32000
2	0.11350	0.38650	0.09450	-m_x,m_x,m_z	0.00000	0.00000	2.32000
3	0.88650	0.61350	0.09450	m_x,-m_x,m_z	0.00000	0.00000	2.32000
4	0.38650	0.11350	0.40550	m_x,-m_x,-m_z	0.00000	0.00000	-2.32000
5	0.61350	0.88650	0.40550	-m_x,m_x,-m_z	0.00000	0.00000	-2.32000
6	0.61350	0.11350	0.09450	-m_x,-m_x,m_z	0.00000	0.00000	2.32000
7	0.88650	0.38650	0.40550	m_x,m_x,-m_z	0.00000	0.00000	-2.32000
8	0.11350	0.61350	0.40550	-m_x,-m_x,-m_z	0.00000	0.00000	-2.32000
(1/2,1/2,1/2)' + set click here to show and hide
9	0.88650	0.38650	0.59450	-m_x,-m_x,-m_z	0.00000	0.00000	-2.32000
10	0.61350	0.88650	0.59450	m_x,-m_x,-m_z	0.00000	0.00000	-2.32000
11	0.38650	0.11350	0.59450	-m_x,m_x,-m_z	0.00000	0.00000	-2.32000
12	0.88650	0.61350	0.90550	-m_x,m_x,m_z	0.00000	0.00000	2.32000
13	0.11350	0.38650	0.90550	m_x,-m_x,m_z	0.00000	0.00000	2.32000
14	0.11350	0.61350	0.59450	m_x,m_x,-m_z	0.00000	0.00000	-2.32000
15	0.38650	0.88650	0.90550	-m_x,-m_x,m_z	0.00000	0.00000	2.32000
16	0.61350	0.11350	0.90550	m_x,m_x,m_z	0.00000	0.00000	2.32000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sn1:

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Nd1	Nd	0.00000	0.00000	0.10570	8	0,0,m_z	2.47(8)	2.47
Nd2	Nd	0.16290	0.66290	0.18690	16	m_x,m_x,m_z	1.94(5)	1.94
Fe1	Fe	0.00000	0.50000	0.00000	4	0,0,m_z	2.2(1)	2.20
Fe2	Fe	0.06620	0.20890	0.00000	16	0,0,m_z	2.4(1)	2.40
Fe3	Fe	0.17850	0.67850	0.05910	16	m_x,m_x,m_z	2.2(1)	2.20
Fe4	Fe	0.38650	0.88650	0.09450	16	m_x,m_x,m_z	2.32(7)	2.32

[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: