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+3/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 3/4 3/4 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+3/4,z+3/4,+1	{ m₁₀₀ \| 1/2 3/4 3/4 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	x+1/2,-y+1/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 1/4 1/4 }
7	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
8	-x+1/2,y+1/4,z+1/4,+1	{ m₁₀₀ \| 1/2 1/4 1/4 }
(0,1/2,0)' + set click here to show and hide
9	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
10	x+1/2,-y+1/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/4 3/4 }
11	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
12	-x+1/2,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 1/4 3/4 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	x+1/2,-y+3/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 3/4 1/4 }
15	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
16	-x+1/2,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 3/4 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.41940	0.30630	0.12500	16	m_x,m_y,m_z	0.0	0.0	0.0	0.00
Nd2	Nd	0.42350	0.05640	0.12500	16	m_x,m_y,m_z	1.39(1)	2.25(1)	0.0	2.64

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.74990	0.32335	0.12500	16
O1	O	0.20500	0.08450	0.12500	16
O2	O	0.12100	0.24200	0.12500	16
O3	O	0.52400	0.39400	0.12500	16
O4	O	0.44600	0.20750	0.12500	16

[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	0.41940	0.30630	0.12500	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.91940	0.44370	0.62500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
3	0.58060	0.69370	0.87500	m_x,m_y,m_z	0.00000	0.00000	0.00000
4	0.08060	0.05630	0.87500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.41940	0.80630	0.62500	m_x,m_y,m_z	0.00000	0.00000	0.00000
6	0.91940	0.94370	0.12500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
7	0.58060	0.19370	0.37500	m_x,m_y,m_z	0.00000	0.00000	0.00000
8	0.08060	0.55630	0.37500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.41940	0.80630	0.12500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
10	0.91940	0.94370	0.62500	-m_x,m_y,m_z	0.00000	0.00000	0.00000
11	0.58060	0.19370	0.87500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
12	0.08060	0.55630	0.87500	-m_x,m_y,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
13	0.41940	0.30630	0.62500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
14	0.91940	0.44370	0.12500	-m_x,m_y,m_z	0.00000	0.00000	0.00000
15	0.58060	0.69370	0.37500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
16	0.08060	0.05630	0.37500	-m_x,m_y,m_z	0.00000	0.00000	0.00000

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	0.42350	0.05640	0.12500	m_x,m_y,m_z	1.39000	2.25000	0.00000
2	0.92350	0.69360	0.62500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
3	0.57650	0.94360	0.87500	m_x,m_y,m_z	1.39000	2.25000	0.00000
4	0.07650	0.80640	0.87500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.42350	0.55640	0.62500	m_x,m_y,m_z	1.39000	2.25000	0.00000
6	0.92350	0.19360	0.12500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
7	0.57650	0.44360	0.37500	m_x,m_y,m_z	1.39000	2.25000	0.00000
8	0.07650	0.30640	0.37500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.42350	0.55640	0.12500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
10	0.92350	0.19360	0.62500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000
11	0.57650	0.44360	0.87500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
12	0.07650	0.30640	0.87500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000
(0,0,1/2)' + set click here to show and hide
13	0.42350	0.05640	0.62500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
14	0.92350	0.69360	0.12500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000
15	0.57650	0.94360	0.37500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
16	0.07650	0.80640	0.37500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.74990	0.32335	0.12500
2	0.24990	0.42665	0.62500
3	0.25010	0.67665	0.87500
4	0.75010	0.07335	0.87500
(0,1/2,1/2) + set click here to show and hide
5	0.74990	0.82335	0.62500
6	0.24990	0.92665	0.12500
7	0.25010	0.17665	0.37500
8	0.75010	0.57335	0.37500
(0,1/2,0)' + set click here to show and hide
9	0.74990	0.82335	0.12500
10	0.24990	0.92665	0.62500
11	0.25010	0.17665	0.87500
12	0.75010	0.57335	0.87500
(0,0,1/2)' + set click here to show and hide
13	0.74990	0.32335	0.62500
14	0.24990	0.42665	0.12500
15	0.25010	0.67665	0.37500
16	0.75010	0.07335	0.37500

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

Atom	x	y	z
1	0.20500	0.08450	0.12500
2	0.70500	0.66550	0.62500
3	0.79500	0.91550	0.87500
4	0.29500	0.83450	0.87500
(0,1/2,1/2) + set click here to show and hide
5	0.20500	0.58450	0.62500
6	0.70500	0.16550	0.12500
7	0.79500	0.41550	0.37500
8	0.29500	0.33450	0.37500
(0,1/2,0)' + set click here to show and hide
9	0.20500	0.58450	0.12500
10	0.70500	0.16550	0.62500
11	0.79500	0.41550	0.87500
12	0.29500	0.33450	0.87500
(0,0,1/2)' + set click here to show and hide
13	0.20500	0.08450	0.62500
14	0.70500	0.66550	0.12500
15	0.79500	0.91550	0.37500
16	0.29500	0.83450	0.37500

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

Atom	x	y	z
1	0.12100	0.24200	0.12500
2	0.62100	0.50800	0.62500
3	0.87900	0.75800	0.87500
4	0.37900	0.99200	0.87500
(0,1/2,1/2) + set click here to show and hide
5	0.12100	0.74200	0.62500
6	0.62100	0.00800	0.12500
7	0.87900	0.25800	0.37500
8	0.37900	0.49200	0.37500
(0,1/2,0)' + set click here to show and hide
9	0.12100	0.74200	0.12500
10	0.62100	0.00800	0.62500
11	0.87900	0.25800	0.87500
12	0.37900	0.49200	0.87500
(0,0,1/2)' + set click here to show and hide
13	0.12100	0.24200	0.62500
14	0.62100	0.50800	0.12500
15	0.87900	0.75800	0.37500
16	0.37900	0.99200	0.37500

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

Atom	x	y	z
1	0.52400	0.39400	0.12500
2	0.02400	0.35600	0.62500
3	0.47600	0.60600	0.87500
4	0.97600	0.14400	0.87500
(0,1/2,1/2) + set click here to show and hide
5	0.52400	0.89400	0.62500
6	0.02400	0.85600	0.12500
7	0.47600	0.10600	0.37500
8	0.97600	0.64400	0.37500
(0,1/2,0)' + set click here to show and hide
9	0.52400	0.89400	0.12500
10	0.02400	0.85600	0.62500
11	0.47600	0.10600	0.87500
12	0.97600	0.64400	0.87500
(0,0,1/2)' + set click here to show and hide
13	0.52400	0.39400	0.62500
14	0.02400	0.35600	0.12500
15	0.47600	0.60600	0.37500
16	0.97600	0.14400	0.37500

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

Atom	x	y	z
1	0.44600	0.20750	0.12500
2	0.94600	0.54250	0.62500
3	0.55400	0.79250	0.87500
4	0.05400	0.95750	0.87500
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5	0.44600	0.70750	0.62500
6	0.94600	0.04250	0.12500
7	0.55400	0.29250	0.37500
8	0.05400	0.45750	0.37500
(0,1/2,0)' + set click here to show and hide
9	0.44600	0.70750	0.12500
10	0.94600	0.04250	0.62500
11	0.55400	0.29250	0.87500
12	0.05400	0.45750	0.87500
(0,0,1/2)' + set click here to show and hide
13	0.44600	0.20750	0.62500
14	0.94600	0.54250	0.12500
15	0.55400	0.79250	0.37500
16	0.05400	0.95750	0.37500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.41940	0.30630	0.12500	16	m_x,m_y,m_z	0.0	0.0	0.0	0.00
Nd2	Nd	0.42350	0.05640	0.12500	16	m_x,m_y,m_z	1.39(1)	2.25(1)	0.0	2.64

[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:

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	0.41940	0.30630	0.12500	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.91940	0.44370	0.62500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
3	0.58060	0.69370	0.87500	m_x,m_y,m_z	0.00000	0.00000	0.00000
4	0.08060	0.05630	0.87500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.41940	0.80630	0.62500	m_x,m_y,m_z	0.00000	0.00000	0.00000
6	0.91940	0.94370	0.12500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
7	0.58060	0.19370	0.37500	m_x,m_y,m_z	0.00000	0.00000	0.00000
8	0.08060	0.55630	0.37500	m_x,-m_y,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.41940	0.80630	0.12500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
10	0.91940	0.94370	0.62500	-m_x,m_y,m_z	0.00000	0.00000	0.00000
11	0.58060	0.19370	0.87500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
12	0.08060	0.55630	0.87500	-m_x,m_y,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
13	0.41940	0.30630	0.62500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
14	0.91940	0.44370	0.12500	-m_x,m_y,m_z	0.00000	0.00000	0.00000
15	0.58060	0.69370	0.37500	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
16	0.08060	0.05630	0.37500	-m_x,m_y,m_z	0.00000	0.00000	0.00000

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	0.42350	0.05640	0.12500	m_x,m_y,m_z	1.39000	2.25000	0.00000
2	0.92350	0.69360	0.62500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
3	0.57650	0.94360	0.87500	m_x,m_y,m_z	1.39000	2.25000	0.00000
4	0.07650	0.80640	0.87500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.42350	0.55640	0.62500	m_x,m_y,m_z	1.39000	2.25000	0.00000
6	0.92350	0.19360	0.12500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
7	0.57650	0.44360	0.37500	m_x,m_y,m_z	1.39000	2.25000	0.00000
8	0.07650	0.30640	0.37500	m_x,-m_y,-m_z	1.39000	-2.25000	0.00000
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9	0.42350	0.55640	0.12500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
10	0.92350	0.19360	0.62500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000
11	0.57650	0.44360	0.87500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
12	0.07650	0.30640	0.87500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000
(0,0,1/2)' + set click here to show and hide
13	0.42350	0.05640	0.62500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
14	0.92350	0.69360	0.12500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000
15	0.57650	0.94360	0.37500	-m_x,-m_y,-m_z	-1.39000	-2.25000	0.00000
16	0.07650	0.80640	0.37500	-m_x,m_y,m_z	-1.39000	2.25000	0.00000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mT1	2	2	special	primary	6

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

BaNd₂O₄ (#1.96)

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

BaNd2O4 (#1.96)

BaNd₂O₄ (#1.96)