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	x-y+1/3,-y+2/3,-z+1/6,+1	{ 2₁₀₀ \| 1/3 2/3 1/6 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+y+1/3,y+2/3,z+1/6,+1	{ m₁₀₀ \| 1/3 2/3 1/6 }
(1/3,2/3,2/3) + set click here to show and hide
5	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
6	x-y+2/3,-y+1/3,-z+5/6,+1	{ 2₁₀₀ \| 2/3 1/3 5/6 }
7	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
8	-x+y+2/3,y+1/3,z+5/6,+1	{ m₁₀₀ \| 2/3 1/3 5/6 }
(2/3,1/3,1/3) + set click here to show and hide
9	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
10	x-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
11	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }
12	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.00000	0.00000	0.08368	12	m_x,m_y,m_z	2.14	2.92	0.0	2.62

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pt1_1	Pt	0.21218	0.00000	0.25000	6
Pt1_2	Pt	0.00000	0.21218	0.25000	12
Pt2	Pt	0.00000	0.00000	0.00000	6
Pt3	Pt	0.00000	0.00000	0.16264	12
Pt4_1	Pt	0.34429	0.01413	0.03887	12
Pt4_2	Pt	0.98587	0.33016	0.03887	12
Pt4_3	Pt	0.66984	0.65571	0.03887	12
Al1_1	Al	0.34850	0.00170	0.19174	12
Al1_2	Al	0.99830	0.34680	0.19174	12
Al1_3	Al	0.65320	0.65150	0.19174	12

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	0.08368	m_x,m_y,m_z	2.14000	2.92000	0.00000
2	0.33333	0.66667	0.08299	m_x-m_y,-m_y,-m_z	-0.78000	-2.92000	0.00000
3	0.00000	0.00000	0.91632	m_x,m_y,m_z	2.14000	2.92000	0.00000
4	0.33333	0.66667	0.25035	m_x-m_y,-m_y,-m_z	-0.78000	-2.92000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.75035	m_x,m_y,m_z	2.14000	2.92000	0.00000
6	0.66667	0.33333	0.74965	m_x-m_y,-m_y,-m_z	-0.78000	-2.92000	0.00000
7	0.33333	0.66667	0.58299	m_x,m_y,m_z	2.14000	2.92000	0.00000
8	0.66667	0.33333	0.91701	m_x-m_y,-m_y,-m_z	-0.78000	-2.92000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.41701	m_x,m_y,m_z	2.14000	2.92000	0.00000
10	0.00000	0.00000	0.41632	m_x-m_y,-m_y,-m_z	-0.78000	-2.92000	0.00000
11	0.66667	0.33333	0.24965	m_x,m_y,m_z	2.14000	2.92000	0.00000
12	0.00000	0.00000	0.58368	m_x-m_y,-m_y,-m_z	-0.78000	-2.92000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pt1_1:

Atom	x	y	z
1	0.21218	0.00000	0.25000
2	0.78782	0.00000	0.75000
(1/3,2/3,2/3) + set click here to show and hide
3	0.54551	0.66667	0.91667
4	0.12115	0.66667	0.41667
(2/3,1/3,1/3) + set click here to show and hide
5	0.87885	0.33333	0.58333
6	0.45449	0.33333	0.08333

Set of atoms in the unit cell related by symmetry with the atom Pt1_2:

Atom	x	y	z
1	0.00000	0.21218	0.25000
2	0.12115	0.45449	0.91667
3	0.00000	0.78782	0.75000
4	0.54551	0.87885	0.41667
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.87885	0.91667
6	0.45449	0.12115	0.58333
7	0.33333	0.45449	0.41667
8	0.87885	0.54551	0.08333
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.54551	0.58333
10	0.78782	0.78782	0.25000
11	0.66667	0.12115	0.08333
12	0.21218	0.21218	0.75000

Set of atoms in the unit cell related by symmetry with the atom Pt2:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.33333	0.66667	0.16667
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667
4	0.66667	0.33333	0.83333
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333
6	0.00000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Pt3:

Atom	x	y	z
1	0.00000	0.00000	0.16264
2	0.33333	0.66667	0.00403
3	0.00000	0.00000	0.83736
4	0.33333	0.66667	0.32931
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.82931
6	0.66667	0.33333	0.67069
7	0.33333	0.66667	0.50403
8	0.66667	0.33333	0.99597
(2/3,1/3,1/3) + set click here to show and hide
9	0.66667	0.33333	0.49597
10	0.00000	0.00000	0.33736
11	0.66667	0.33333	0.17069
12	0.00000	0.00000	0.66264

Set of atoms in the unit cell related by symmetry with the atom Pt4_1:

Atom	x	y	z
1	0.34429	0.01413	0.03887
2	0.66349	0.65254	0.12780
3	0.65571	0.98587	0.96113
4	0.00317	0.68080	0.20554
(1/3,2/3,2/3) + set click here to show and hide
5	0.67762	0.68080	0.70554
6	0.99683	0.31920	0.79446
7	0.98904	0.65254	0.62780
8	0.33651	0.34746	0.87220
(2/3,1/3,1/3) + set click here to show and hide
9	0.01096	0.34746	0.37220
10	0.33016	0.98587	0.46113
11	0.32238	0.31920	0.29446
12	0.66984	0.01413	0.53887

Set of atoms in the unit cell related by symmetry with the atom Pt4_2:

Atom	x	y	z
1	0.98587	0.33016	0.03887
2	0.98904	0.33651	0.12780
3	0.01413	0.66984	0.96113
4	0.67762	0.99683	0.20554
(1/3,2/3,2/3) + set click here to show and hide
5	0.31920	0.99683	0.70554
6	0.32238	0.00317	0.79446
7	0.34746	0.33651	0.62780
8	0.01096	0.66349	0.87220
(2/3,1/3,1/3) + set click here to show and hide
9	0.65254	0.66349	0.37220
10	0.65571	0.66984	0.46113
11	0.68080	0.00317	0.29446
12	0.34429	0.33016	0.53887

Set of atoms in the unit cell related by symmetry with the atom Pt4_3:

Atom	x	y	z
1	0.66984	0.65571	0.03887
2	0.34746	0.01096	0.12780
3	0.33016	0.34429	0.96113
4	0.31920	0.32238	0.20554
(1/3,2/3,2/3) + set click here to show and hide
5	0.00317	0.32238	0.70554
6	0.68080	0.67762	0.79446
7	0.66349	0.01096	0.62780
8	0.65254	0.98904	0.87220
(2/3,1/3,1/3) + set click here to show and hide
9	0.33651	0.98904	0.37220
10	0.01413	0.34429	0.46113
11	0.99683	0.67762	0.29446
12	0.98587	0.65571	0.53887

Set of atoms in the unit cell related by symmetry with the atom Al1_1:

Atom	x	y	z
1	0.34850	0.00170	0.19174
2	0.68013	0.66497	0.97493
3	0.65150	0.99830	0.80826
4	0.98653	0.66837	0.35841
(1/3,2/3,2/3) + set click here to show and hide
5	0.68183	0.66837	0.85841
6	0.01347	0.33163	0.64159
7	0.98483	0.66497	0.47493
8	0.31987	0.33503	0.02507
(2/3,1/3,1/3) + set click here to show and hide
9	0.01517	0.33503	0.52507
10	0.34680	0.99830	0.30826
11	0.31817	0.33163	0.14159
12	0.65320	0.00170	0.69174

Set of atoms in the unit cell related by symmetry with the atom Al1_2:

Atom	x	y	z
1	0.99830	0.34680	0.19174
2	0.98483	0.31987	0.97493
3	0.00170	0.65320	0.80826
4	0.68183	0.01347	0.35841
(1/3,2/3,2/3) + set click here to show and hide
5	0.33163	0.01347	0.85841
6	0.31817	0.98653	0.64159
7	0.33503	0.31987	0.47493
8	0.01517	0.68013	0.02507
(2/3,1/3,1/3) + set click here to show and hide
9	0.66497	0.68013	0.52507
10	0.65150	0.65320	0.30826
11	0.66837	0.98653	0.14159
12	0.34850	0.34680	0.69174

Set of atoms in the unit cell related by symmetry with the atom Al1_3:

Atom	x	y	z
1	0.65320	0.65150	0.19174
2	0.33503	0.01517	0.97493
3	0.34680	0.34850	0.80826
4	0.33163	0.31817	0.35841
(1/3,2/3,2/3) + set click here to show and hide
5	0.98653	0.31817	0.85841
6	0.66837	0.68183	0.64159
7	0.68013	0.01517	0.47493
8	0.66497	0.98483	0.02507
(2/3,1/3,1/3) + set click here to show and hide
9	0.31987	0.98483	0.52507
10	0.00170	0.34850	0.30826
11	0.01347	0.68183	0.14159
12	0.99830	0.65150	0.69174

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.00000	0.00000	0.08368	12	m_x,m_y,m_z	2.14	2.92	0.0	2.62

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