MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 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+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
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+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	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\|
Mn1	Mn	0.00000	0.40440	0.25000	4	m_x,0,m_z	2.0(2)	0.0	-1.8(4)	2.84
Mn2	Mn	0.32010	0.40740	0.18420	8	m_x,m_y,m_z	2.47(2)	0.3(4)	-1.4(2)	2.99
Mn3	Mn	0.32350	0.02810	0.13180	8	m_x,m_y,m_z	3.0(2)	0.2(3)	0.9(2)	3.04

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.41950	0.18690	0.40810	8
P2	P	0.15990	0.23860	0.12940	8
O1	O	0.51150	0.28310	0.08080	8
O2	O	0.42360	0.06780	0.29220	8
O3	O	0.34510	0.27220	0.36740	8
O4	O	0.08430	0.39080	0.44620	8
O5	O	0.33660	0.23500	0.03350	8
O6	O	0.20250	0.09850	0.17280	8
O7	O	0.20070	0.36410	0.21230	8
O8	O	0.07490	0.23160	0.15910	8
O9	O	0.24170	0.07640	0.47090	8
O10	O	0.07650	0.01470	0.35040	8
D1	D	0.02530	0.22290	0.01070	8
D2	D	0.26290	0.15210	0.41430	8
D3	D	0.20200	0.12690	0.52080	8
D4	D	0.06630	0.09570	0.28240	8
D5	D	0.46790	0.45240	0.14260	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.40440	0.25000	m_x,0,m_z	2.00000	0.00000	-1.80000
2	0.00000	0.59560	0.75000	m_x,0,m_z	2.00000	0.00000	-1.80000
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3	0.50000	0.90440	0.25000	m_x,0,m_z	2.00000	0.00000	-1.80000
4	0.50000	0.09560	0.75000	m_x,0,m_z	2.00000	0.00000	-1.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.32010	0.40740	0.18420	m_x,m_y,m_z	2.47000	0.30000	-1.40000
2	0.67990	0.59260	0.81580	m_x,m_y,m_z	2.47000	0.30000	-1.40000
3	0.67990	0.40740	0.31580	m_x,-m_y,m_z	2.47000	-0.30000	-1.40000
4	0.32010	0.59260	0.68420	m_x,-m_y,m_z	2.47000	-0.30000	-1.40000
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5	0.82010	0.90740	0.18420	m_x,m_y,m_z	2.47000	0.30000	-1.40000
6	0.17990	0.09260	0.81580	m_x,m_y,m_z	2.47000	0.30000	-1.40000
7	0.17990	0.90740	0.31580	m_x,-m_y,m_z	2.47000	-0.30000	-1.40000
8	0.82010	0.09260	0.68420	m_x,-m_y,m_z	2.47000	-0.30000	-1.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.32350	0.02810	0.13180	m_x,m_y,m_z	3.00000	0.20000	0.90000
2	0.67650	0.97190	0.86820	m_x,m_y,m_z	3.00000	0.20000	0.90000
3	0.67650	0.02810	0.36820	m_x,-m_y,m_z	3.00000	-0.20000	0.90000
4	0.32350	0.97190	0.63180	m_x,-m_y,m_z	3.00000	-0.20000	0.90000
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5	0.82350	0.52810	0.13180	m_x,m_y,m_z	3.00000	0.20000	0.90000
6	0.17650	0.47190	0.86820	m_x,m_y,m_z	3.00000	0.20000	0.90000
7	0.17650	0.52810	0.36820	m_x,-m_y,m_z	3.00000	-0.20000	0.90000
8	0.82350	0.47190	0.63180	m_x,-m_y,m_z	3.00000	-0.20000	0.90000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.41950	0.18690	0.40810
2	0.58050	0.81310	0.59190
3	0.58050	0.18690	0.09190
4	0.41950	0.81310	0.90810
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5	0.91950	0.68690	0.40810
6	0.08050	0.31310	0.59190
7	0.08050	0.68690	0.09190
8	0.91950	0.31310	0.90810

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

Atom	x	y	z
1	0.15990	0.23860	0.12940
2	0.84010	0.76140	0.87060
3	0.84010	0.23860	0.37060
4	0.15990	0.76140	0.62940
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5	0.65990	0.73860	0.12940
6	0.34010	0.26140	0.87060
7	0.34010	0.73860	0.37060
8	0.65990	0.26140	0.62940

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

Atom	x	y	z
1	0.51150	0.28310	0.08080
2	0.48850	0.71690	0.91920
3	0.48850	0.28310	0.41920
4	0.51150	0.71690	0.58080
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5	0.01150	0.78310	0.08080
6	0.98850	0.21690	0.91920
7	0.98850	0.78310	0.41920
8	0.01150	0.21690	0.58080

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

Atom	x	y	z
1	0.42360	0.06780	0.29220
2	0.57640	0.93220	0.70780
3	0.57640	0.06780	0.20780
4	0.42360	0.93220	0.79220
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5	0.92360	0.56780	0.29220
6	0.07640	0.43220	0.70780
7	0.07640	0.56780	0.20780
8	0.92360	0.43220	0.79220

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

Atom	x	y	z
1	0.34510	0.27220	0.36740
2	0.65490	0.72780	0.63260
3	0.65490	0.27220	0.13260
4	0.34510	0.72780	0.86740
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5	0.84510	0.77220	0.36740
6	0.15490	0.22780	0.63260
7	0.15490	0.77220	0.13260
8	0.84510	0.22780	0.86740

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

Atom	x	y	z
1	0.08430	0.39080	0.44620
2	0.91570	0.60920	0.55380
3	0.91570	0.39080	0.05380
4	0.08430	0.60920	0.94620
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5	0.58430	0.89080	0.44620
6	0.41570	0.10920	0.55380
7	0.41570	0.89080	0.05380
8	0.58430	0.10920	0.94620

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

Atom	x	y	z
1	0.33660	0.23500	0.03350
2	0.66340	0.76500	0.96650
3	0.66340	0.23500	0.46650
4	0.33660	0.76500	0.53350
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5	0.83660	0.73500	0.03350
6	0.16340	0.26500	0.96650
7	0.16340	0.73500	0.46650
8	0.83660	0.26500	0.53350

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

Atom	x	y	z
1	0.20250	0.09850	0.17280
2	0.79750	0.90150	0.82720
3	0.79750	0.09850	0.32720
4	0.20250	0.90150	0.67280
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5	0.70250	0.59850	0.17280
6	0.29750	0.40150	0.82720
7	0.29750	0.59850	0.32720
8	0.70250	0.40150	0.67280

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

Atom	x	y	z
1	0.20070	0.36410	0.21230
2	0.79930	0.63590	0.78770
3	0.79930	0.36410	0.28770
4	0.20070	0.63590	0.71230
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5	0.70070	0.86410	0.21230
6	0.29930	0.13590	0.78770
7	0.29930	0.86410	0.28770
8	0.70070	0.13590	0.71230

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

Atom	x	y	z
1	0.07490	0.23160	0.15910
2	0.92510	0.76840	0.84090
3	0.92510	0.23160	0.34090
4	0.07490	0.76840	0.65910
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5	0.57490	0.73160	0.15910
6	0.42510	0.26840	0.84090
7	0.42510	0.73160	0.34090
8	0.57490	0.26840	0.65910

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

Atom	x	y	z
1	0.24170	0.07640	0.47090
2	0.75830	0.92360	0.52910
3	0.75830	0.07640	0.02910
4	0.24170	0.92360	0.97090
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5	0.74170	0.57640	0.47090
6	0.25830	0.42360	0.52910
7	0.25830	0.57640	0.02910
8	0.74170	0.42360	0.97090

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

Atom	x	y	z
1	0.07650	0.01470	0.35040
2	0.92350	0.98530	0.64960
3	0.92350	0.01470	0.14960
4	0.07650	0.98530	0.85040
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5	0.57650	0.51470	0.35040
6	0.42350	0.48530	0.64960
7	0.42350	0.51470	0.14960
8	0.57650	0.48530	0.85040

Set of atoms in the unit cell related by symmetry with the atom D1:

Atom	x	y	z
1	0.02530	0.22290	0.01070
2	0.97470	0.77710	0.98930
3	0.97470	0.22290	0.48930
4	0.02530	0.77710	0.51070
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5	0.52530	0.72290	0.01070
6	0.47470	0.27710	0.98930
7	0.47470	0.72290	0.48930
8	0.52530	0.27710	0.51070

Set of atoms in the unit cell related by symmetry with the atom D2:

Atom	x	y	z
1	0.26290	0.15210	0.41430
2	0.73710	0.84790	0.58570
3	0.73710	0.15210	0.08570
4	0.26290	0.84790	0.91430
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5	0.76290	0.65210	0.41430
6	0.23710	0.34790	0.58570
7	0.23710	0.65210	0.08570
8	0.76290	0.34790	0.91430

Set of atoms in the unit cell related by symmetry with the atom D3:

Atom	x	y	z
1	0.20200	0.12690	0.52080
2	0.79800	0.87310	0.47920
3	0.79800	0.12690	0.97920
4	0.20200	0.87310	0.02080
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5	0.70200	0.62690	0.52080
6	0.29800	0.37310	0.47920
7	0.29800	0.62690	0.97920
8	0.70200	0.37310	0.02080

Set of atoms in the unit cell related by symmetry with the atom D4:

Atom	x	y	z
1	0.06630	0.09570	0.28240
2	0.93370	0.90430	0.71760
3	0.93370	0.09570	0.21760
4	0.06630	0.90430	0.78240
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5	0.56630	0.59570	0.28240
6	0.43370	0.40430	0.71760
7	0.43370	0.59570	0.21760
8	0.56630	0.40430	0.78240

Set of atoms in the unit cell related by symmetry with the atom D5:

Atom	x	y	z
1	0.46790	0.45240	0.14260
2	0.53210	0.54760	0.85740
3	0.53210	0.45240	0.35740
4	0.46790	0.54760	0.64260
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5	0.96790	0.95240	0.14260
6	0.03210	0.04760	0.85740
7	0.03210	0.95240	0.35740
8	0.96790	0.04760	0.64260

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.40440	0.25000	4	m_x,0,m_z	2.0(2)	0.0	-1.8(4)	2.84
Mn2	Mn	0.32010	0.40740	0.18420	8	m_x,m_y,m_z	2.47(2)	0.3(4)	-1.4(2)	2.99
Mn3	Mn	0.32350	0.02810	0.13180	8	m_x,m_y,m_z	3.0(2)	0.2(3)	0.9(2)	3.04

[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	8

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

Mn₅(PO₄)₂(PO₃(OH))₂(HOH)₄ (#0.763)

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

Mn5(PO4)2(PO3(OH))2(HOH)4 (#0.763)

Mn₅(PO₄)₂(PO₃(OH))₂(HOH)₄ (#0.763)