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

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

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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	0.00000	8	m_x,0,m_z	2.10(7)	0.0	0.0	2.10

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
Ni1	Ni	0.50000	0.12500	16
B1	B	0.00000	0.17635	16
C1	C	0.00000	0.25000	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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	2.10000	0.00000	0.00000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,0,m_z	2.10000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	2.10000	0.00000	0.00000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,0,m_z	2.10000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	-2.10000	0.00000	0.00000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.50000	0.75000	-m_x,0,-m_z	-2.10000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	-2.10000	0.00000	0.00000
(1/4,1/2,1/4)' + set click here to show and hide
8	0.25000	0.50000	0.25000	-m_x,0,-m_z	-2.10000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1:

Atom	x	y	z
1	0.00000	0.50000	0.12500
2	0.50000	0.50000	0.87500
(1/4,1/2,3/4) + set click here to show and hide
3	0.25000	0.00000	0.87500
4	0.75000	0.00000	0.62500
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.50000	0.62500
6	0.00000	0.50000	0.37500
(3/4,1/2,1/4) + set click here to show and hide
7	0.75000	0.00000	0.37500
8	0.25000	0.00000	0.12500
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.50000	0.12500
10	0.00000	0.50000	0.87500
(3/4,1/2,3/4)' + set click here to show and hide
11	0.75000	0.00000	0.87500
12	0.25000	0.00000	0.62500
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.50000	0.62500
14	0.50000	0.50000	0.37500
(1/4,1/2,1/4)' + set click here to show and hide
15	0.25000	0.00000	0.37500
16	0.75000	0.00000	0.12500

Set of atoms in the unit cell related by symmetry with the atom B1:

Atom	x	y	z
1	0.00000	0.00000	0.17635
2	0.50000	0.00000	0.82365
(1/4,1/2,3/4) + set click here to show and hide
3	0.25000	0.50000	0.92635
4	0.75000	0.50000	0.57365
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.67635
6	0.00000	0.00000	0.32365
(3/4,1/2,1/4) + set click here to show and hide
7	0.75000	0.50000	0.42635
8	0.25000	0.50000	0.07365
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.00000	0.17635
10	0.00000	0.00000	0.82365
(3/4,1/2,3/4)' + set click here to show and hide
11	0.75000	0.50000	0.92635
12	0.25000	0.50000	0.57365
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.00000	0.67635
14	0.50000	0.00000	0.32365
(1/4,1/2,1/4)' + set click here to show and hide
15	0.25000	0.50000	0.42635
16	0.75000	0.50000	0.07365

Set of atoms in the unit cell related by symmetry with the atom C1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.25000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.75000
(1/4,1/2,1/4)' + set click here to show and hide
8	0.25000	0.50000	0.50000

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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	0.00000	8	m_x,0,m_z	2.10(7)	0.0	0.0	2.10

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

label	dim. small irrep	dim. full irrep	action	number of modes
mN2+	1	4	primary	2

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

NdNi₂B₂C (#1.293)

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

NdNi2B2C (#1.293)

NdNi₂B₂C (#1.293)