MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
3	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
4	-x,-y,-z,-1	{ -1' \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,y,-z,-1	2'₀₁₀
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.02720	0.68200	0.79080	1.00000	4	M_x,M_y,M_z	2.27867	1.13338	-0.03009	2.55
Nd2	Nd	0.22720	0.68200	0.59080	1.00000	4	M_x,M_y,M_z	0.43089	1.13338	1.38531	1.74
Nd3	Nd	0.42720	0.68200	0.39080	1.00000	4	M_x,M_y,M_z	2.27805	1.13338	-0.02961	2.55
Nd4	Nd	0.62720	0.68200	0.19080	1.00000	4	M_x,M_y,M_z	2.27805	1.13338	-0.02961	2.55
Nd5	Nd	0.82720	0.68200	-0.00920	1.00000	4	M_x,M_y,M_z	0.43089	1.13338	1.38531	1.74

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
B1	B	-0.05921	0.50000	0.55921	1.22024	4
B2	B	0.14079	0.50000	0.35921	1.22024	4
B3	B	0.34079	0.50000	0.15921	1.22024	4
B4	B	0.54079	0.50000	-0.04079	1.22024	4
B5	B	0.74079	0.50000	0.75921	1.22024	4
B6	B	0.03492	-0.08728	0.55238	1.20976	4
B7	B	0.23492	-0.08728	0.35238	1.20976	4
B8	B	0.43492	-0.08728	0.15238	1.20976	4
B9	B	0.63492	-0.08728	-0.04762	1.20976	4
B10	B	0.83492	-0.08728	0.75238	1.20976	4
B11	B	0.07024	0.46135	0.60536	1.17564	4
B12	B	0.27024	0.46135	0.40536	1.17564	4
B13	B	0.47024	0.46135	0.20536	1.17564	4
B14	B	0.67024	0.46135	0.00536	1.17564	4
B15	B	0.87024	0.46135	0.80536	1.17564	4
B16	B	0.18454	0.17561	0.77681	1.17564	4
B17	B	0.38454	0.17561	0.57681	1.17564	4
B18	B	0.58454	0.17561	0.37681	1.17564	4
B19	B	0.78454	0.17561	0.17681	1.17564	4
B20	B	-0.01546	0.17561	-0.02319	1.17564	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	0.02720	0.68200	0.79080	m_x,m_y,m_z	2.27867	1.13338	-0.03009
2	0.02720	0.81800	0.29080	-m_x,m_y,-m_z	-2.27867	1.13338	0.03009
3	0.97280	0.18200	0.70920	m_x,-m_y,m_z	2.27867	-1.13338	-0.03009
4	0.97280	0.31800	0.20920	-m_x,-m_y,-m_z	-2.27867	-1.13338	0.03009

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	0.22720	0.68200	0.59080	m_x,m_y,m_z	0.43089	1.13338	1.38531
2	0.22720	0.81800	0.09080	-m_x,m_y,-m_z	-0.43089	1.13338	-1.38531
3	0.77280	0.18200	0.90920	m_x,-m_y,m_z	0.43089	-1.13338	1.38531
4	0.77280	0.31800	0.40920	-m_x,-m_y,-m_z	-0.43089	-1.13338	-1.38531

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.42720	0.68200	0.39080	m_x,m_y,m_z	2.27805	1.13338	-0.02961
2	0.42720	0.81800	0.89080	-m_x,m_y,-m_z	-2.27805	1.13338	0.02961
3	0.57280	0.18200	0.10920	m_x,-m_y,m_z	2.27805	-1.13338	-0.02961
4	0.57280	0.31800	0.60920	-m_x,-m_y,-m_z	-2.27805	-1.13338	0.02961

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62720	0.68200	0.19080	m_x,m_y,m_z	2.27805	1.13338	-0.02961
2	0.62720	0.81800	0.69080	-m_x,m_y,-m_z	-2.27805	1.13338	0.02961
3	0.37280	0.18200	0.30920	m_x,-m_y,m_z	2.27805	-1.13338	-0.02961
4	0.37280	0.31800	0.80920	-m_x,-m_y,-m_z	-2.27805	-1.13338	0.02961

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.82720	0.68200	0.99080	m_x,m_y,m_z	0.43089	1.13338	1.38531
2	0.82720	0.81800	0.49080	-m_x,m_y,-m_z	-0.43089	1.13338	-1.38531
3	0.17280	0.18200	0.50920	m_x,-m_y,m_z	0.43089	-1.13338	1.38531
4	0.17280	0.31800	0.00920	-m_x,-m_y,-m_z	-0.43089	-1.13338	-1.38531

Non-magnetic atoms:

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

Atom	x	y	z
1	0.94079	0.50000	0.55921
2	0.94079	0.00000	0.05921
3	0.05921	0.00000	0.94079
4	0.05921	0.50000	0.44079

Set of atoms in the unit cell related by symmetry with the atom B2:

Atom	x	y	z
1	0.14079	0.50000	0.35921
2	0.14079	0.00000	0.85921
3	0.85921	0.00000	0.14079
4	0.85921	0.50000	0.64079

Set of atoms in the unit cell related by symmetry with the atom B3:

Atom	x	y	z
1	0.34079	0.50000	0.15921
2	0.34079	0.00000	0.65921
3	0.65921	0.00000	0.34079
4	0.65921	0.50000	0.84079

Set of atoms in the unit cell related by symmetry with the atom B4:

Atom	x	y	z
1	0.54079	0.50000	0.95921
2	0.54079	0.00000	0.45921
3	0.45921	0.00000	0.54079
4	0.45921	0.50000	0.04079

Set of atoms in the unit cell related by symmetry with the atom B5:

Atom	x	y	z
1	0.74079	0.50000	0.75921
2	0.74079	0.00000	0.25921
3	0.25921	0.00000	0.74079
4	0.25921	0.50000	0.24079

Set of atoms in the unit cell related by symmetry with the atom B6:

Atom	x	y	z
1	0.03492	0.91272	0.55238
2	0.03492	0.58728	0.05238
3	0.96508	0.41272	0.94762
4	0.96508	0.08728	0.44762

Set of atoms in the unit cell related by symmetry with the atom B7:

Atom	x	y	z
1	0.23492	0.91272	0.35238
2	0.23492	0.58728	0.85238
3	0.76508	0.41272	0.14762
4	0.76508	0.08728	0.64762

Set of atoms in the unit cell related by symmetry with the atom B8:

Atom	x	y	z
1	0.43492	0.91272	0.15238
2	0.43492	0.58728	0.65238
3	0.56508	0.41272	0.34762
4	0.56508	0.08728	0.84762

Set of atoms in the unit cell related by symmetry with the atom B9:

Atom	x	y	z
1	0.63492	0.91272	0.95238
2	0.63492	0.58728	0.45238
3	0.36508	0.41272	0.54762
4	0.36508	0.08728	0.04762

Set of atoms in the unit cell related by symmetry with the atom B10:

Atom	x	y	z
1	0.83492	0.91272	0.75238
2	0.83492	0.58728	0.25238
3	0.16508	0.41272	0.74762
4	0.16508	0.08728	0.24762

Set of atoms in the unit cell related by symmetry with the atom B11:

Atom	x	y	z
1	0.07024	0.46135	0.60536
2	0.07024	0.03865	0.10536
3	0.92976	0.96135	0.89464
4	0.92976	0.53865	0.39464

Set of atoms in the unit cell related by symmetry with the atom B12:

Atom	x	y	z
1	0.27024	0.46135	0.40536
2	0.27024	0.03865	0.90536
3	0.72976	0.96135	0.09464
4	0.72976	0.53865	0.59464

Set of atoms in the unit cell related by symmetry with the atom B13:

Atom	x	y	z
1	0.47024	0.46135	0.20536
2	0.47024	0.03865	0.70536
3	0.52976	0.96135	0.29464
4	0.52976	0.53865	0.79464

Set of atoms in the unit cell related by symmetry with the atom B14:

Atom	x	y	z
1	0.67024	0.46135	0.00536
2	0.67024	0.03865	0.50536
3	0.32976	0.96135	0.49464
4	0.32976	0.53865	0.99464

Set of atoms in the unit cell related by symmetry with the atom B15:

Atom	x	y	z
1	0.87024	0.46135	0.80536
2	0.87024	0.03865	0.30536
3	0.12976	0.96135	0.69464
4	0.12976	0.53865	0.19464

Set of atoms in the unit cell related by symmetry with the atom B16:

Atom	x	y	z
1	0.18454	0.17561	0.77681
2	0.18454	0.32439	0.27681
3	0.81546	0.67561	0.72319
4	0.81546	0.82439	0.22319

Set of atoms in the unit cell related by symmetry with the atom B17:

Atom	x	y	z
1	0.38454	0.17561	0.57681
2	0.38454	0.32439	0.07681
3	0.61546	0.67561	0.92319
4	0.61546	0.82439	0.42319

Set of atoms in the unit cell related by symmetry with the atom B18:

Atom	x	y	z
1	0.58454	0.17561	0.37681
2	0.58454	0.32439	0.87681
3	0.41546	0.67561	0.12319
4	0.41546	0.82439	0.62319

Set of atoms in the unit cell related by symmetry with the atom B19:

Atom	x	y	z
1	0.78454	0.17561	0.17681
2	0.78454	0.32439	0.67681
3	0.21546	0.67561	0.32319
4	0.21546	0.82439	0.82319

Set of atoms in the unit cell related by symmetry with the atom B20:

Atom	x	y	z
1	0.98454	0.17561	0.97681
2	0.98454	0.32439	0.47681
3	0.01546	0.67561	0.52319
4	0.01546	0.82439	0.02319

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.02720	0.68200	0.79080	4	M_x,M_y,M_z	2.27867	1.13338	-0.03009	2.55
Nd2	Nd	0.22720	0.68200	0.59080	4	M_x,M_y,M_z	0.43089	1.13338	1.38531	1.74
Nd3	Nd	0.42720	0.68200	0.39080	4	M_x,M_y,M_z	2.27805	1.13338	-0.02961	2.55
Nd4	Nd	0.62720	0.68200	0.19080	4	M_x,M_y,M_z	2.27805	1.13338	-0.02961	2.55
Nd5	Nd	0.82720	0.68200	-0.00920	4	M_x,M_y,M_z	0.43089	1.13338	1.38531	1.74

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM3-	1	1		primary	1
mGM5-	2	2	special	secondary	1	yes
mGM4-	1	1		secondary	1	no
mB2	8	1	special	primary	6
mB1	8	1	special	secondary	6	yes

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

NdB₄ (#2.117)

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

NdB4 (#2.117)

NdB₄ (#2.117)