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+1/4,-y,z+1/2,+1	{ 2₀₀₁ \| 1/4 0 1/2 }
3	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
4	-x+1/4,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/4 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+3/4,-y,z+1/2,-1	{ 2'₀₀₁ \| 3/4 0 1/2 }
7	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
8	-x+3/4,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 3/4 1/2 1/2 }

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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	2₀₀₁
3	x,-y,z,+1	m₀₁₀
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	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1_1	Cu	0.31778	0.25000	0.96576	4	0,m_y,0	0.0	1.	0.0	1.00
Cu1_2	Cu	0.68222	0.75000	0.03424	4	0,m_y,0	0.0	-1.	0.0	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1_1	Na	0.06826	0.25000	0.89357	4
Na1_2	Na	0.93174	0.75000	0.10643	4
Na2_1	Na	0.30010	0.25000	0.21587	4
Na2_2	Na	0.69990	0.75000	0.78413	4
S1_1	S	0.32545	0.25000	0.80373	4
S1_2	S	0.67455	0.75000	0.19627	4
O1_1	O	0.40540	0.25000	0.86511	4
O1_2	O	0.59460	0.75000	0.13489	4
O2_1	O	0.23945	0.25000	0.85958	4
O2_2	O	0.76055	0.75000	0.14042	4
O3_1	O	0.42315	0.53590	0.25212	8
O3_2	O	0.57685	0.03590	0.74788	8
Cl1_1	Cl	0.42960	0.25000	0.06421	4
Cl1_2	Cl	0.57041	0.75000	0.93579	4
Cl2_1	Cl	0.18850	0.25000	0.04778	4
Cl2_2	Cl	0.81150	0.75000	0.95222	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 Cu1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.31778	0.25000	0.96576	0,m_y,0	0.00000	1.00000	0.00000
2	0.93222	0.75000	0.46576	0,-m_y,0	0.00000	-1.00000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.81778	0.25000	0.96576	0,-m_y,0	0.00000	-1.00000	0.00000
4	0.43222	0.75000	0.46576	0,m_y,0	0.00000	1.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.68222	0.75000	0.03424	0,m_y,0	0.00000	-1.00000	0.00000
2	0.56778	0.25000	0.53424	0,-m_y,0	0.00000	1.00000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.18222	0.75000	0.03424	0,-m_y,0	0.00000	1.00000	0.00000
4	0.06778	0.25000	0.53424	0,m_y,0	0.00000	-1.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Na1_1:

Atom	x	y	z
1	0.06826	0.25000	0.89357
2	0.18174	0.75000	0.39357
(1/2,0,0)' + set click here to show and hide
3	0.56826	0.25000	0.89357
4	0.68174	0.75000	0.39357

Set of atoms in the unit cell related by symmetry with the atom Na1_2:

Atom	x	y	z
1	0.93174	0.75000	0.10643
2	0.31826	0.25000	0.60643
(1/2,0,0)' + set click here to show and hide
3	0.43174	0.75000	0.10643
4	0.81826	0.25000	0.60643

Set of atoms in the unit cell related by symmetry with the atom Na2_1:

Atom	x	y	z
1	0.30010	0.25000	0.21587
2	0.94990	0.75000	0.71587
(1/2,0,0)' + set click here to show and hide
3	0.80010	0.25000	0.21587
4	0.44990	0.75000	0.71587

Set of atoms in the unit cell related by symmetry with the atom Na2_2:

Atom	x	y	z
1	0.69990	0.75000	0.78413
2	0.55010	0.25000	0.28413
(1/2,0,0)' + set click here to show and hide
3	0.19990	0.75000	0.78413
4	0.05010	0.25000	0.28413

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.32545	0.25000	0.80373
2	0.92455	0.75000	0.30373
(1/2,0,0)' + set click here to show and hide
3	0.82545	0.25000	0.80373
4	0.42455	0.75000	0.30373

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.67455	0.75000	0.19627
2	0.57545	0.25000	0.69627
(1/2,0,0)' + set click here to show and hide
3	0.17455	0.75000	0.19627
4	0.07545	0.25000	0.69627

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.40540	0.25000	0.86511
2	0.84460	0.75000	0.36511
(1/2,0,0)' + set click here to show and hide
3	0.90540	0.25000	0.86511
4	0.34460	0.75000	0.36511

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.59460	0.75000	0.13489
2	0.65540	0.25000	0.63489
(1/2,0,0)' + set click here to show and hide
3	0.09460	0.75000	0.13489
4	0.15540	0.25000	0.63489

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.23945	0.25000	0.85958
2	0.01055	0.75000	0.35958
(1/2,0,0)' + set click here to show and hide
3	0.73945	0.25000	0.85958
4	0.51055	0.75000	0.35958

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.76055	0.75000	0.14042
2	0.48945	0.25000	0.64042
(1/2,0,0)' + set click here to show and hide
3	0.26055	0.75000	0.14042
4	0.98945	0.25000	0.64042

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.42315	0.53590	0.25212
2	0.82685	0.46410	0.75212
3	0.42315	0.96410	0.25212
4	0.82685	0.03590	0.75212
(1/2,0,0)' + set click here to show and hide
5	0.92315	0.53590	0.25212
6	0.32685	0.46410	0.75212
7	0.92315	0.96410	0.25212
8	0.32685	0.03590	0.75212

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.57685	0.03590	0.74788
2	0.67315	0.96410	0.24788
3	0.57685	0.46410	0.74788
4	0.67315	0.53590	0.24788
(1/2,0,0)' + set click here to show and hide
5	0.07685	0.03590	0.74788
6	0.17315	0.96410	0.24788
7	0.07685	0.46410	0.74788
8	0.17315	0.53590	0.24788

Set of atoms in the unit cell related by symmetry with the atom Cl1_1:

Atom	x	y	z
1	0.42960	0.25000	0.06421
2	0.82040	0.75000	0.56421
(1/2,0,0)' + set click here to show and hide
3	0.92960	0.25000	0.06421
4	0.32040	0.75000	0.56421

Set of atoms in the unit cell related by symmetry with the atom Cl1_2:

Atom	x	y	z
1	0.57041	0.75000	0.93579
2	0.67959	0.25000	0.43579
(1/2,0,0)' + set click here to show and hide
3	0.07041	0.75000	0.93579
4	0.17959	0.25000	0.43579

Set of atoms in the unit cell related by symmetry with the atom Cl2_1:

Atom	x	y	z
1	0.18850	0.25000	0.04778
2	0.06150	0.75000	0.54778
(1/2,0,0)' + set click here to show and hide
3	0.68850	0.25000	0.04778
4	0.56150	0.75000	0.54778

Set of atoms in the unit cell related by symmetry with the atom Cl2_2:

Atom	x	y	z
1	0.81150	0.75000	0.95222
2	0.43850	0.25000	0.45222
(1/2,0,0)' + set click here to show and hide
3	0.31150	0.75000	0.95222
4	0.93850	0.25000	0.45222

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1_1	Cu	0.31778	0.25000	0.96576	4	0,m_y,0	0.0	1.	0.0	1.00
Cu1_2	Cu	0.68222	0.75000	0.03424	4	0,m_y,0	0.0	-1.	0.0	1.00

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX1	2	2	special	primary	2

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

Na₂CuSO₄Cl₂ (#1.682)

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

Na2CuSO4Cl2 (#1.682)

Na₂CuSO₄Cl₂ (#1.682)