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	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
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5	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
6	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }

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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.22740	0.77021	0.34063	8	M_x,M_y,M_z	-0.24(7)	-0.2(1)	-0.76(4)	0.73
Cu2	Cu	0.23559	0.22886	0.14103	8	M_x,M_y,M_z	-0.03(7)	-0.26(9)	-0.43(3)	0.49
Cu3	Cu	0.66231	-0.00254	0.20169	8	M_x,M_y,M_z	-0.45(4)	0.0	-0.41(3)	0.48

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.57643	0.02745	0.44987	8
Na2	Na	0.44742	0.00664	0.14412	8
O1	O	0.75000	0.14070	0.25000	4
O2	O	0.69621	0.07980	0.40845	8
O3	O	0.81979	-0.07613	0.45829	8
O4	O	0.71056	0.89844	0.52811	8
O5	O	0.34726	0.80441	0.41646	8
O6	O	0.14434	0.19072	0.31844	8
O8	O	0.00932	0.13618	0.19212	8
O9	O	0.80949	0.09761	0.57348	8
O10	O	0.38274	0.84045	0.26494	8
O11	O	0.12824	0.15154	0.14432	8
O12	O	0.75000	0.85046	0.25000	4
O13	O	-0.07171	0.12542	0.36813	8
O14	O	0.48655	0.85536	0.43271	8
S1	S	0.76074	0.00095	0.49084	8
S2	S	0.41266	0.78545	0.36881	8
S3	S	0.08644	0.21304	0.21219	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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22740	0.77021	0.34063	m_x,m_y,m_z	-0.24000	-0.20000	-0.76000
2	0.77260	0.27021	0.15937	-m_x,m_y,-m_z	0.24000	-0.20000	0.76000
3	0.77260	0.22979	0.65937	m_x,m_y,m_z	-0.24000	-0.20000	-0.76000
4	0.22740	0.72979	0.84063	-m_x,m_y,-m_z	0.24000	-0.20000	0.76000
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5	0.72740	0.27021	0.34063	-m_x,-m_y,-m_z	0.24000	0.20000	0.76000
6	0.27260	0.77021	0.15937	m_x,-m_y,m_z	-0.24000	0.20000	-0.76000
7	0.27260	0.72979	0.65937	-m_x,-m_y,-m_z	0.24000	0.20000	0.76000
8	0.72740	0.22979	0.84063	m_x,-m_y,m_z	-0.24000	0.20000	-0.76000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.23559	0.22886	0.14103	m_x,m_y,m_z	-0.03000	-0.26000	-0.43000
2	0.76441	0.72886	0.35897	-m_x,m_y,-m_z	0.03000	-0.26000	0.43000
3	0.76441	0.77114	0.85897	m_x,m_y,m_z	-0.03000	-0.26000	-0.43000
4	0.23559	0.27114	0.64103	-m_x,m_y,-m_z	0.03000	-0.26000	0.43000
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5	0.73559	0.72886	0.14103	-m_x,-m_y,-m_z	0.03000	0.26000	0.43000
6	0.26441	0.22886	0.35897	m_x,-m_y,m_z	-0.03000	0.26000	-0.43000
7	0.26441	0.27114	0.85897	-m_x,-m_y,-m_z	0.03000	0.26000	0.43000
8	0.73559	0.77114	0.64103	m_x,-m_y,m_z	-0.03000	0.26000	-0.43000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.66231	0.99746	0.20169	m_x,m_y,m_z	-0.45000	0.00000	-0.41000
2	0.33769	0.49746	0.29831	-m_x,m_y,-m_z	0.45000	0.00000	0.41000
3	0.33769	0.00254	0.79831	m_x,m_y,m_z	-0.45000	0.00000	-0.41000
4	0.66231	0.50254	0.70169	-m_x,m_y,-m_z	0.45000	0.00000	0.41000
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5	0.16231	0.49746	0.20169	-m_x,-m_y,-m_z	0.45000	0.00000	0.41000
6	0.83769	0.99746	0.29831	m_x,-m_y,m_z	-0.45000	0.00000	-0.41000
7	0.83769	0.50254	0.79831	-m_x,-m_y,-m_z	0.45000	0.00000	0.41000
8	0.16231	0.00254	0.70169	m_x,-m_y,m_z	-0.45000	0.00000	-0.41000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Na1:

Atom	x	y	z
1	0.57643	0.02745	0.44987
2	0.42357	0.52745	0.05013
3	0.42357	0.97255	0.55013
4	0.57643	0.47255	0.94987
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5	0.07643	0.52745	0.44987
6	0.92357	0.02745	0.05013
7	0.92357	0.47255	0.55013
8	0.07643	0.97255	0.94987

Set of atoms in the unit cell related by symmetry with the atom Na2:

Atom	x	y	z
1	0.44742	0.00664	0.14412
2	0.55258	0.50664	0.35588
3	0.55258	0.99336	0.85588
4	0.44742	0.49336	0.64412
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5	0.94742	0.50664	0.14412
6	0.05258	0.00664	0.35588
7	0.05258	0.49336	0.85588
8	0.94742	0.99336	0.64412

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

Atom	x	y	z
1	0.75000	0.14070	0.25000
2	0.25000	0.85930	0.75000
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3	0.25000	0.64070	0.25000
4	0.75000	0.35930	0.75000

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

Atom	x	y	z
1	0.69621	0.07980	0.40845
2	0.30379	0.57980	0.09155
3	0.30379	0.92020	0.59155
4	0.69621	0.42020	0.90845
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5	0.19621	0.57980	0.40845
6	0.80379	0.07980	0.09155
7	0.80379	0.42020	0.59155
8	0.19621	0.92020	0.90845

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

Atom	x	y	z
1	0.81979	0.92387	0.45829
2	0.18021	0.42387	0.04171
3	0.18021	0.07613	0.54171
4	0.81979	0.57613	0.95829
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5	0.31979	0.42387	0.45829
6	0.68021	0.92387	0.04171
7	0.68021	0.57613	0.54171
8	0.31979	0.07613	0.95829

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

Atom	x	y	z
1	0.71056	0.89844	0.52811
2	0.28944	0.39844	0.97189
3	0.28944	0.10156	0.47189
4	0.71056	0.60156	0.02811
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5	0.21056	0.39844	0.52811
6	0.78944	0.89844	0.97189
7	0.78944	0.60156	0.47189
8	0.21056	0.10156	0.02811

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.34726	0.80441	0.41646
2	0.65274	0.30441	0.08354
3	0.65274	0.19559	0.58354
4	0.34726	0.69559	0.91646
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5	0.84726	0.30441	0.41646
6	0.15274	0.80441	0.08354
7	0.15274	0.69559	0.58354
8	0.84726	0.19559	0.91646

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.14434	0.19072	0.31844
2	0.85566	0.69072	0.18156
3	0.85566	0.80928	0.68156
4	0.14434	0.30928	0.81844
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5	0.64434	0.69072	0.31844
6	0.35566	0.19072	0.18156
7	0.35566	0.30928	0.68156
8	0.64434	0.80928	0.81844

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.00932	0.13618	0.19212
2	0.99068	0.63618	0.30788
3	0.99068	0.86382	0.80788
4	0.00932	0.36382	0.69212
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5	0.50932	0.63618	0.19212
6	0.49068	0.13618	0.30788
7	0.49068	0.36382	0.80788
8	0.50932	0.86382	0.69212

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.80949	0.09761	0.57348
2	0.19051	0.59761	0.92652
3	0.19051	0.90239	0.42652
4	0.80949	0.40239	0.07348
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5	0.30949	0.59761	0.57348
6	0.69051	0.09761	0.92652
7	0.69051	0.40239	0.42652
8	0.30949	0.90239	0.07348

Set of atoms in the unit cell related by symmetry with the atom O10:

Atom	x	y	z
1	0.38274	0.84045	0.26494
2	0.61726	0.34045	0.23506
3	0.61726	0.15955	0.73506
4	0.38274	0.65955	0.76494
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5	0.88274	0.34045	0.26494
6	0.11726	0.84045	0.23506
7	0.11726	0.65955	0.73506
8	0.88274	0.15955	0.76494

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.12824	0.15154	0.14432
2	0.87176	0.65154	0.35568
3	0.87176	0.84846	0.85568
4	0.12824	0.34846	0.64432
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5	0.62824	0.65154	0.14432
6	0.37176	0.15154	0.35568
7	0.37176	0.34846	0.85568
8	0.62824	0.84846	0.64432

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.75000	0.85046	0.25000
2	0.25000	0.14954	0.75000
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3	0.25000	0.35046	0.25000
4	0.75000	0.64954	0.75000

Set of atoms in the unit cell related by symmetry with the atom O13:

Atom	x	y	z
1	0.92829	0.12542	0.36813
2	0.07171	0.62542	0.13187
3	0.07171	0.87458	0.63187
4	0.92829	0.37458	0.86813
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5	0.42829	0.62542	0.36813
6	0.57171	0.12542	0.13187
7	0.57171	0.37458	0.63187
8	0.42829	0.87458	0.86813

Set of atoms in the unit cell related by symmetry with the atom O14:

Atom	x	y	z
1	0.48655	0.85536	0.43271
2	0.51345	0.35536	0.06729
3	0.51345	0.14464	0.56729
4	0.48655	0.64464	0.93271
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5	0.98655	0.35536	0.43271
6	0.01345	0.85536	0.06729
7	0.01345	0.64464	0.56729
8	0.98655	0.14464	0.93271

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.76074	0.00095	0.49084
2	0.23926	0.50095	0.00916
3	0.23926	0.99905	0.50916
4	0.76074	0.49905	0.99084
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5	0.26074	0.50095	0.49084
6	0.73926	0.00095	0.00916
7	0.73926	0.49905	0.50916
8	0.26074	0.99905	0.99084

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.41266	0.78545	0.36881
2	0.58734	0.28545	0.13119
3	0.58734	0.21455	0.63119
4	0.41266	0.71455	0.86881
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5	0.91266	0.28545	0.36881
6	0.08734	0.78545	0.13119
7	0.08734	0.71455	0.63119
8	0.91266	0.21455	0.86881

Set of atoms in the unit cell related by symmetry with the atom S3:

Atom	x	y	z
1	0.08644	0.21304	0.21219
2	0.91356	0.71304	0.28781
3	0.91356	0.78696	0.78781
4	0.08644	0.28696	0.71219
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5	0.58644	0.71304	0.21219
6	0.41356	0.21304	0.28781
7	0.41356	0.28696	0.78781
8	0.58644	0.78696	0.71219

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.22740	0.77021	0.34063	8	M_x,M_y,M_z	-0.24(7)	-0.2(1)	-0.76(4)	0.73
Cu2	Cu	0.23559	0.22886	0.14103	8	M_x,M_y,M_z	-0.03(7)	-0.26(9)	-0.43(3)	0.49
Cu3	Cu	0.66231	-0.00254	0.20169	8	M_x,M_y,M_z	-0.45(4)	0.0	-0.41(3)	0.48

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

label	dim. small irrep	dim. full irrep	action	number of modes
mY2-	1	1	primary	9

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

Na₂Cu₃O(SO₄)₃ (#1.804)

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

Na2Cu3O(SO4)3 (#1.804)

Na₂Cu₃O(SO₄)₃ (#1.804)