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+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
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5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
7	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
8	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
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9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+1/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 1/2 1/4 }
11	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
12	x+1/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/2 1/4 }
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13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-x+3/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 1/2 3/4 }
15	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
16	x+3/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/2 3/4 }

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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	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	0.0	-0.83	0.0	0.83
Fe1	Fe	0.16720	0.24230	0.05995	16	m_x,m_y,m_z	0.0	-4.88	0.0	4.88

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.17720	0.27540	0.45255	16
P2	P	0.47495	0.25290	0.41560	16
O1	O	0.12260	0.20760	0.49330	16
O2	O	0.09510	0.28380	0.41515	16
O3	O	0.45945	0.99790	0.43980	16
O4	O	0.43400	0.47550	0.44110	16
O5	O	0.43505	0.22530	0.37110	16
O6	O	0.25400	0.08280	0.44110	16
O7	O	0.21770	0.55280	0.45665	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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.00000	-0.83000	0.00000
2	0.75000	0.50000	0.25000	-m_x,m_y,-m_z	0.00000	-0.83000	0.00000
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3	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	-0.83000	0.00000
4	0.25000	0.50000	0.75000	-m_x,m_y,-m_z	0.00000	-0.83000	0.00000
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5	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.83000	0.00000
6	0.25000	0.50000	0.25000	m_x,-m_y,m_z	0.00000	0.83000	0.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	0.83000	0.00000
8	0.75000	0.50000	0.75000	m_x,-m_y,m_z	0.00000	0.83000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16720	0.24230	0.05995	m_x,m_y,m_z	0.00000	-4.88000	0.00000
2	0.58280	0.74230	0.19005	-m_x,m_y,-m_z	0.00000	-4.88000	0.00000
3	0.83280	0.75770	0.94005	m_x,m_y,m_z	0.00000	-4.88000	0.00000
4	0.91720	0.25770	0.30995	-m_x,m_y,-m_z	0.00000	-4.88000	0.00000
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5	0.66720	0.24230	0.55995	m_x,m_y,m_z	0.00000	-4.88000	0.00000
6	0.08280	0.74230	0.69005	-m_x,m_y,-m_z	0.00000	-4.88000	0.00000
7	0.33280	0.75770	0.44005	m_x,m_y,m_z	0.00000	-4.88000	0.00000
8	0.41720	0.25770	0.80995	-m_x,m_y,-m_z	0.00000	-4.88000	0.00000
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9	0.66720	0.24230	0.05995	-m_x,-m_y,-m_z	0.00000	4.88000	0.00000
10	0.08280	0.74230	0.19005	m_x,-m_y,m_z	0.00000	4.88000	0.00000
11	0.33280	0.75770	0.94005	-m_x,-m_y,-m_z	0.00000	4.88000	0.00000
12	0.41720	0.25770	0.30995	m_x,-m_y,m_z	0.00000	4.88000	0.00000
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13	0.16720	0.24230	0.55995	-m_x,-m_y,-m_z	0.00000	4.88000	0.00000
14	0.58280	0.74230	0.69005	m_x,-m_y,m_z	0.00000	4.88000	0.00000
15	0.83280	0.75770	0.44005	-m_x,-m_y,-m_z	0.00000	4.88000	0.00000
16	0.91720	0.25770	0.80995	m_x,-m_y,m_z	0.00000	4.88000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.17720	0.27540	0.45255
2	0.57280	0.77540	0.79745
3	0.82280	0.72460	0.54745
4	0.92720	0.22460	0.70255
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5	0.67720	0.27540	0.95255
6	0.07280	0.77540	0.29745
7	0.32280	0.72460	0.04745
8	0.42720	0.22460	0.20255
(1/2,0,0)' + set click here to show and hide
9	0.67720	0.27540	0.45255
10	0.07280	0.77540	0.79745
11	0.32280	0.72460	0.54745
12	0.42720	0.22460	0.70255
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13	0.17720	0.27540	0.95255
14	0.57280	0.77540	0.29745
15	0.82280	0.72460	0.04745
16	0.92720	0.22460	0.20255

Set of atoms in the unit cell related by symmetry with the atom P2:

Atom	x	y	z
1	0.47495	0.25290	0.41560
2	0.27505	0.75290	0.83440
3	0.52505	0.74710	0.58440
4	0.22495	0.24710	0.66560
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5	0.97495	0.25290	0.91560
6	0.77505	0.75290	0.33440
7	0.02505	0.74710	0.08440
8	0.72495	0.24710	0.16560
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9	0.97495	0.25290	0.41560
10	0.77505	0.75290	0.83440
11	0.02505	0.74710	0.58440
12	0.72495	0.24710	0.66560
(0,0,1/2)' + set click here to show and hide
13	0.47495	0.25290	0.91560
14	0.27505	0.75290	0.33440
15	0.52505	0.74710	0.08440
16	0.22495	0.24710	0.16560

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

Atom	x	y	z
1	0.12260	0.20760	0.49330
2	0.62740	0.70760	0.75670
3	0.87740	0.79240	0.50670
4	0.87260	0.29240	0.74330
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5	0.62260	0.20760	0.99330
6	0.12740	0.70760	0.25670
7	0.37740	0.79240	0.00670
8	0.37260	0.29240	0.24330
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9	0.62260	0.20760	0.49330
10	0.12740	0.70760	0.75670
11	0.37740	0.79240	0.50670
12	0.37260	0.29240	0.74330
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13	0.12260	0.20760	0.99330
14	0.62740	0.70760	0.25670
15	0.87740	0.79240	0.00670
16	0.87260	0.29240	0.24330

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

Atom	x	y	z
1	0.09510	0.28380	0.41515
2	0.65490	0.78380	0.83485
3	0.90490	0.71620	0.58485
4	0.84510	0.21620	0.66515
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5	0.59510	0.28380	0.91515
6	0.15490	0.78380	0.33485
7	0.40490	0.71620	0.08485
8	0.34510	0.21620	0.16515
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9	0.59510	0.28380	0.41515
10	0.15490	0.78380	0.83485
11	0.40490	0.71620	0.58485
12	0.34510	0.21620	0.66515
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13	0.09510	0.28380	0.91515
14	0.65490	0.78380	0.33485
15	0.90490	0.71620	0.08485
16	0.84510	0.21620	0.16515

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

Atom	x	y	z
1	0.45945	0.99790	0.43980
2	0.29055	0.49790	0.81020
3	0.54055	0.00210	0.56020
4	0.20945	0.50210	0.68980
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5	0.95945	0.99790	0.93980
6	0.79055	0.49790	0.31020
7	0.04055	0.00210	0.06020
8	0.70945	0.50210	0.18980
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9	0.95945	0.99790	0.43980
10	0.79055	0.49790	0.81020
11	0.04055	0.00210	0.56020
12	0.70945	0.50210	0.68980
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13	0.45945	0.99790	0.93980
14	0.29055	0.49790	0.31020
15	0.54055	0.00210	0.06020
16	0.20945	0.50210	0.18980

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

Atom	x	y	z
1	0.43400	0.47550	0.44110
2	0.31600	0.97550	0.80890
3	0.56600	0.52450	0.55890
4	0.18400	0.02450	0.69110
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5	0.93400	0.47550	0.94110
6	0.81600	0.97550	0.30890
7	0.06600	0.52450	0.05890
8	0.68400	0.02450	0.19110
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9	0.93400	0.47550	0.44110
10	0.81600	0.97550	0.80890
11	0.06600	0.52450	0.55890
12	0.68400	0.02450	0.69110
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13	0.43400	0.47550	0.94110
14	0.31600	0.97550	0.30890
15	0.56600	0.52450	0.05890
16	0.18400	0.02450	0.19110

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

Atom	x	y	z
1	0.43505	0.22530	0.37110
2	0.31495	0.72530	0.87890
3	0.56495	0.77470	0.62890
4	0.18505	0.27470	0.62110
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5	0.93505	0.22530	0.87110
6	0.81495	0.72530	0.37890
7	0.06495	0.77470	0.12890
8	0.68505	0.27470	0.12110
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9	0.93505	0.22530	0.37110
10	0.81495	0.72530	0.87890
11	0.06495	0.77470	0.62890
12	0.68505	0.27470	0.62110
(0,0,1/2)' + set click here to show and hide
13	0.43505	0.22530	0.87110
14	0.31495	0.72530	0.37890
15	0.56495	0.77470	0.12890
16	0.18505	0.27470	0.12110

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

Atom	x	y	z
1	0.25400	0.08280	0.44110
2	0.49600	0.58280	0.80890
3	0.74600	0.91720	0.55890
4	0.00400	0.41720	0.69110
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5	0.75400	0.08280	0.94110
6	0.99600	0.58280	0.30890
7	0.24600	0.91720	0.05890
8	0.50400	0.41720	0.19110
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9	0.75400	0.08280	0.44110
10	0.99600	0.58280	0.80890
11	0.24600	0.91720	0.55890
12	0.50400	0.41720	0.69110
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13	0.25400	0.08280	0.94110
14	0.49600	0.58280	0.30890
15	0.74600	0.91720	0.05890
16	0.00400	0.41720	0.19110

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

Atom	x	y	z
1	0.21770	0.55280	0.45665
2	0.53230	0.05280	0.79335
3	0.78230	0.44720	0.54335
4	0.96770	0.94720	0.70665
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5	0.71770	0.55280	0.95665
6	0.03230	0.05280	0.29335
7	0.28230	0.44720	0.04335
8	0.46770	0.94720	0.20665
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9	0.71770	0.55280	0.45665
10	0.03230	0.05280	0.79335
11	0.28230	0.44720	0.54335
12	0.46770	0.94720	0.70665
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13	0.21770	0.55280	0.95665
14	0.53230	0.05280	0.29335
15	0.78230	0.44720	0.04335
16	0.96770	0.94720	0.20665

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	0.0	-0.83	0.0	0.83
Fe1	Fe	0.16720	0.24230	0.05995	16	m_x,m_y,m_z	0.0	-4.88	0.0	4.88

[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	6

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

CuFe₂(P₂O₇)₂ (#1.297)

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

CuFe2(P2O7)2 (#1.297)

CuFe₂(P₂O₇)₂ (#1.297)