MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	-x,-y,-z,-1	{ -1' \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.4827	0.0205	0.343	8	M_x,M_y,M_z	-0.4(1)	-0.03(7)	0.4(1)	0.67
Cu2	Cu	0.4834	0.4724	0.1381	8	M_x,M_y,M_z	-0.09(9)	-0.29(7)	0.46(9)	0.58
Cu3	Cu	0.4166	0.7483	0.2043	8	M_x,M_y,M_z	-0.1(1)	0.0(2)	-0.56(7)	0.53

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.3245	0.7595	0.4573	8
Na1	Na	0.1938	0.7399	0.1272	8
O1	O	0.5	0.8907	0.25	4
O2	O	0.4382	0.8272	0.3963	8
O3	O	0.5577	0.6727	0.4592	8
O4	O	0.4546	0.6515	0.5186	8
O5	O	0.5961	0.0596	0.4144	8
O6	O	0.4011	0.436	0.3144	8
O7	O	0.3314	0.6087	0.1864	8
O8	O	0.2718	0.3869	0.1872	8
O9	O	0.5413	0.8558	0.5656	8
O10	O	0.6228	0.0826	0.2608	8
O11	O	0.3807	0.3986	0.1372	8
O12	O	0.5	0.5992	0.25	4
O13	O	0.6698	0.8755	0.3727	8
O14	O	0.7285	0.1005	0.4306	8
S1	S	0.4957	0.7514	0.4873	8
S2	S	0.6567	0.0345	0.3771	8
S3	S	0.3486	0.4431	0.2126	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	0.48270	0.02050	0.34300	m_x,m_y,m_z	-0.40000	-0.03000	0.40000
2	0.48270	0.97950	0.84300	-m_x,m_y,-m_z	0.40000	-0.03000	-0.40000
3	0.51730	0.02050	0.15700	m_x,-m_y,m_z	-0.40000	0.03000	0.40000
4	0.51730	0.97950	0.65700	-m_x,-m_y,-m_z	0.40000	0.03000	-0.40000
(1/2,1/2,0) + set click here to show and hide
5	0.98270	0.52050	0.34300	m_x,m_y,m_z	-0.40000	-0.03000	0.40000
6	0.98270	0.47950	0.84300	-m_x,m_y,-m_z	0.40000	-0.03000	-0.40000
7	0.01730	0.52050	0.15700	m_x,-m_y,m_z	-0.40000	0.03000	0.40000
8	0.01730	0.47950	0.65700	-m_x,-m_y,-m_z	0.40000	0.03000	-0.40000

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	0.48340	0.47240	0.13810	m_x,m_y,m_z	-0.09000	-0.29000	0.46000
2	0.48340	0.52760	0.63810	-m_x,m_y,-m_z	0.09000	-0.29000	-0.46000
3	0.51660	0.47240	0.36190	m_x,-m_y,m_z	-0.09000	0.29000	0.46000
4	0.51660	0.52760	0.86190	-m_x,-m_y,-m_z	0.09000	0.29000	-0.46000
(1/2,1/2,0) + set click here to show and hide
5	0.98340	0.97240	0.13810	m_x,m_y,m_z	-0.09000	-0.29000	0.46000
6	0.98340	0.02760	0.63810	-m_x,m_y,-m_z	0.09000	-0.29000	-0.46000
7	0.01660	0.97240	0.36190	m_x,-m_y,m_z	-0.09000	0.29000	0.46000
8	0.01660	0.02760	0.86190	-m_x,-m_y,-m_z	0.09000	0.29000	-0.46000

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	0.41660	0.74830	0.20430	m_x,m_y,m_z	-0.10000	0.00000	-0.56000
2	0.41660	0.25170	0.70430	-m_x,m_y,-m_z	0.10000	0.00000	0.56000
3	0.58340	0.74830	0.29570	m_x,-m_y,m_z	-0.10000	0.00000	-0.56000
4	0.58340	0.25170	0.79570	-m_x,-m_y,-m_z	0.10000	0.00000	0.56000
(1/2,1/2,0) + set click here to show and hide
5	0.91660	0.24830	0.20430	m_x,m_y,m_z	-0.10000	0.00000	-0.56000
6	0.91660	0.75170	0.70430	-m_x,m_y,-m_z	0.10000	0.00000	0.56000
7	0.08340	0.24830	0.29570	m_x,-m_y,m_z	-0.10000	0.00000	-0.56000
8	0.08340	0.75170	0.79570	-m_x,-m_y,-m_z	0.10000	0.00000	0.56000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

Atom	x	y	z
1	0.32450	0.75950	0.45730
2	0.32450	0.24050	0.95730
3	0.67550	0.75950	0.04270
4	0.67550	0.24050	0.54270
(1/2,1/2,0) + set click here to show and hide
5	0.82450	0.25950	0.45730
6	0.82450	0.74050	0.95730
7	0.17550	0.25950	0.04270
8	0.17550	0.74050	0.54270

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

Atom	x	y	z
1	0.19380	0.73990	0.12720
2	0.19380	0.26010	0.62720
3	0.80620	0.73990	0.37280
4	0.80620	0.26010	0.87280
(1/2,1/2,0) + set click here to show and hide
5	0.69380	0.23990	0.12720
6	0.69380	0.76010	0.62720
7	0.30620	0.23990	0.37280
8	0.30620	0.76010	0.87280

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

Atom	x	y	z
1	0.50000	0.89070	0.25000
2	0.50000	0.10930	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.00000	0.39070	0.25000
4	0.00000	0.60930	0.75000

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

Atom	x	y	z
1	0.43820	0.82720	0.39630
2	0.43820	0.17280	0.89630
3	0.56180	0.82720	0.10370
4	0.56180	0.17280	0.60370
(1/2,1/2,0) + set click here to show and hide
5	0.93820	0.32720	0.39630
6	0.93820	0.67280	0.89630
7	0.06180	0.32720	0.10370
8	0.06180	0.67280	0.60370

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

Atom	x	y	z
1	0.55770	0.67270	0.45920
2	0.55770	0.32730	0.95920
3	0.44230	0.67270	0.04080
4	0.44230	0.32730	0.54080
(1/2,1/2,0) + set click here to show and hide
5	0.05770	0.17270	0.45920
6	0.05770	0.82730	0.95920
7	0.94230	0.17270	0.04080
8	0.94230	0.82730	0.54080

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

Atom	x	y	z
1	0.45460	0.65150	0.51860
2	0.45460	0.34850	0.01860
3	0.54540	0.65150	0.98140
4	0.54540	0.34850	0.48140
(1/2,1/2,0) + set click here to show and hide
5	0.95460	0.15150	0.51860
6	0.95460	0.84850	0.01860
7	0.04540	0.15150	0.98140
8	0.04540	0.84850	0.48140

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

Atom	x	y	z
1	0.59610	0.05960	0.41440
2	0.59610	0.94040	0.91440
3	0.40390	0.05960	0.08560
4	0.40390	0.94040	0.58560
(1/2,1/2,0) + set click here to show and hide
5	0.09610	0.55960	0.41440
6	0.09610	0.44040	0.91440
7	0.90390	0.55960	0.08560
8	0.90390	0.44040	0.58560

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

Atom	x	y	z
1	0.40110	0.43600	0.31440
2	0.40110	0.56400	0.81440
3	0.59890	0.43600	0.18560
4	0.59890	0.56400	0.68560
(1/2,1/2,0) + set click here to show and hide
5	0.90110	0.93600	0.31440
6	0.90110	0.06400	0.81440
7	0.09890	0.93600	0.18560
8	0.09890	0.06400	0.68560

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.33140	0.60870	0.18640
2	0.33140	0.39130	0.68640
3	0.66860	0.60870	0.31360
4	0.66860	0.39130	0.81360
(1/2,1/2,0) + set click here to show and hide
5	0.83140	0.10870	0.18640
6	0.83140	0.89130	0.68640
7	0.16860	0.10870	0.31360
8	0.16860	0.89130	0.81360

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

Atom	x	y	z
1	0.27180	0.38690	0.18720
2	0.27180	0.61310	0.68720
3	0.72820	0.38690	0.31280
4	0.72820	0.61310	0.81280
(1/2,1/2,0) + set click here to show and hide
5	0.77180	0.88690	0.18720
6	0.77180	0.11310	0.68720
7	0.22820	0.88690	0.31280
8	0.22820	0.11310	0.81280

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

Atom	x	y	z
1	0.54130	0.85580	0.56560
2	0.54130	0.14420	0.06560
3	0.45870	0.85580	0.93440
4	0.45870	0.14420	0.43440
(1/2,1/2,0) + set click here to show and hide
5	0.04130	0.35580	0.56560
6	0.04130	0.64420	0.06560
7	0.95870	0.35580	0.93440
8	0.95870	0.64420	0.43440

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

Atom	x	y	z
1	0.62280	0.08260	0.26080
2	0.62280	0.91740	0.76080
3	0.37720	0.08260	0.23920
4	0.37720	0.91740	0.73920
(1/2,1/2,0) + set click here to show and hide
5	0.12280	0.58260	0.26080
6	0.12280	0.41740	0.76080
7	0.87720	0.58260	0.23920
8	0.87720	0.41740	0.73920

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

Atom	x	y	z
1	0.38070	0.39860	0.13720
2	0.38070	0.60140	0.63720
3	0.61930	0.39860	0.36280
4	0.61930	0.60140	0.86280
(1/2,1/2,0) + set click here to show and hide
5	0.88070	0.89860	0.13720
6	0.88070	0.10140	0.63720
7	0.11930	0.89860	0.36280
8	0.11930	0.10140	0.86280

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

Atom	x	y	z
1	0.50000	0.59920	0.25000
2	0.50000	0.40080	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.00000	0.09920	0.25000
4	0.00000	0.90080	0.75000

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

Atom	x	y	z
1	0.66980	0.87550	0.37270
2	0.66980	0.12450	0.87270
3	0.33020	0.87550	0.12730
4	0.33020	0.12450	0.62730
(1/2,1/2,0) + set click here to show and hide
5	0.16980	0.37550	0.37270
6	0.16980	0.62450	0.87270
7	0.83020	0.37550	0.12730
8	0.83020	0.62450	0.62730

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

Atom	x	y	z
1	0.72850	0.10050	0.43060
2	0.72850	0.89950	0.93060
3	0.27150	0.10050	0.06940
4	0.27150	0.89950	0.56940
(1/2,1/2,0) + set click here to show and hide
5	0.22850	0.60050	0.43060
6	0.22850	0.39950	0.93060
7	0.77150	0.60050	0.06940
8	0.77150	0.39950	0.56940

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

Atom	x	y	z
1	0.49570	0.75140	0.48730
2	0.49570	0.24860	0.98730
3	0.50430	0.75140	0.01270
4	0.50430	0.24860	0.51270
(1/2,1/2,0) + set click here to show and hide
5	0.99570	0.25140	0.48730
6	0.99570	0.74860	0.98730
7	0.00430	0.25140	0.01270
8	0.00430	0.74860	0.51270

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

Atom	x	y	z
1	0.65670	0.03450	0.37710
2	0.65670	0.96550	0.87710
3	0.34330	0.03450	0.12290
4	0.34330	0.96550	0.62290
(1/2,1/2,0) + set click here to show and hide
5	0.15670	0.53450	0.37710
6	0.15670	0.46550	0.87710
7	0.84330	0.53450	0.12290
8	0.84330	0.46550	0.62290

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

Atom	x	y	z
1	0.34860	0.44310	0.21260
2	0.34860	0.55690	0.71260
3	0.65140	0.44310	0.28740
4	0.65140	0.55690	0.78740
(1/2,1/2,0) + set click here to show and hide
5	0.84860	0.94310	0.21260
6	0.84860	0.05690	0.71260
7	0.15140	0.94310	0.28740
8	0.15140	0.05690	0.78740

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.4827	0.0205	0.343	8	M_x,M_y,M_z	-0.4(1)	-0.03(7)	0.4(1)	0.67
Cu2	Cu	0.4834	0.4724	0.1381	8	M_x,M_y,M_z	-0.09(9)	-0.29(7)	0.46(9)	0.58
Cu3	Cu	0.4166	0.7483	0.2043	8	M_x,M_y,M_z	-0.1(1)	0.0(2)	-0.56(7)	0.53

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	9

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

NaKCu₃O(SO₄)₃ (#0.1033)

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

NaKCu3O(SO4)3 (#0.1033)

NaKCu₃O(SO₄)₃ (#0.1033)