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	0.39950	0.25000	4	m_x,0,m_z	2.1(1)	0.0	-3.1(1)	3.93
Mn2	Mn	0.31730	0.40700	0.18620	8	m_x,m_y,m_z	-0.7(1)	0.1(2)	-3.32(6)	3.32
Mn3	Mn	0.32470	0.02860	0.13440	8	m_x,m_y,m_z	0.9(1)	0.3(1)	3.37(6)	3.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.41920	0.18100	0.40780	8
P2	P	0.16000	0.23660	0.12890	8
O1	O	0.51320	0.28080	0.08270	8
O2	O	0.42360	0.06840	0.29410	8
O3	O	0.34500	0.26970	0.37050	8
O4	O	0.08560	0.39000	0.44490	8
O5	O	0.33770	0.23560	0.03240	8
O6	O	0.20050	0.09570	0.17270	8
O7	O	0.20040	0.36470	0.20890	8
O8	O	0.07600	0.23410	0.15680	8
O9	O	0.24170	0.08010	0.46820	8
O10	O	0.07670	0.01340	0.35290	8
D1	D	0.02440	0.22010	0.00930	8
D2	D	0.26470	0.15610	0.41450	8
D3	D	0.20250	0.12880	0.52320	8
D4	D	0.06350	0.09170	0.28300	8
D5	D	0.46750	0.45090	0.14060	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	0.39950	0.25000	m_x,0,m_z	2.10000	0.00000	-3.10000
2	0.00000	0.60050	0.75000	m_x,0,m_z	2.10000	0.00000	-3.10000
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3	0.50000	0.89950	0.25000	m_x,0,m_z	2.10000	0.00000	-3.10000
4	0.50000	0.10050	0.75000	m_x,0,m_z	2.10000	0.00000	-3.10000

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	0.31730	0.40700	0.18620	m_x,m_y,m_z	-0.70000	0.10000	-3.32000
2	0.68270	0.59300	0.81380	m_x,m_y,m_z	-0.70000	0.10000	-3.32000
3	0.68270	0.40700	0.31380	m_x,-m_y,m_z	-0.70000	-0.10000	-3.32000
4	0.31730	0.59300	0.68620	m_x,-m_y,m_z	-0.70000	-0.10000	-3.32000
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5	0.81730	0.90700	0.18620	m_x,m_y,m_z	-0.70000	0.10000	-3.32000
6	0.18270	0.09300	0.81380	m_x,m_y,m_z	-0.70000	0.10000	-3.32000
7	0.18270	0.90700	0.31380	m_x,-m_y,m_z	-0.70000	-0.10000	-3.32000
8	0.81730	0.09300	0.68620	m_x,-m_y,m_z	-0.70000	-0.10000	-3.32000

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	0.32470	0.02860	0.13440	m_x,m_y,m_z	0.90000	0.30000	3.37000
2	0.67530	0.97140	0.86560	m_x,m_y,m_z	0.90000	0.30000	3.37000
3	0.67530	0.02860	0.36560	m_x,-m_y,m_z	0.90000	-0.30000	3.37000
4	0.32470	0.97140	0.63440	m_x,-m_y,m_z	0.90000	-0.30000	3.37000
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5	0.82470	0.52860	0.13440	m_x,m_y,m_z	0.90000	0.30000	3.37000
6	0.17530	0.47140	0.86560	m_x,m_y,m_z	0.90000	0.30000	3.37000
7	0.17530	0.52860	0.36560	m_x,-m_y,m_z	0.90000	-0.30000	3.37000
8	0.82470	0.47140	0.63440	m_x,-m_y,m_z	0.90000	-0.30000	3.37000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.41920	0.18100	0.40780
2	0.58080	0.81900	0.59220
3	0.58080	0.18100	0.09220
4	0.41920	0.81900	0.90780
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5	0.91920	0.68100	0.40780
6	0.08080	0.31900	0.59220
7	0.08080	0.68100	0.09220
8	0.91920	0.31900	0.90780

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

Atom	x	y	z
1	0.16000	0.23660	0.12890
2	0.84000	0.76340	0.87110
3	0.84000	0.23660	0.37110
4	0.16000	0.76340	0.62890
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5	0.66000	0.73660	0.12890
6	0.34000	0.26340	0.87110
7	0.34000	0.73660	0.37110
8	0.66000	0.26340	0.62890

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

Atom	x	y	z
1	0.51320	0.28080	0.08270
2	0.48680	0.71920	0.91730
3	0.48680	0.28080	0.41730
4	0.51320	0.71920	0.58270
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5	0.01320	0.78080	0.08270
6	0.98680	0.21920	0.91730
7	0.98680	0.78080	0.41730
8	0.01320	0.21920	0.58270

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

Atom	x	y	z
1	0.42360	0.06840	0.29410
2	0.57640	0.93160	0.70590
3	0.57640	0.06840	0.20590
4	0.42360	0.93160	0.79410
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5	0.92360	0.56840	0.29410
6	0.07640	0.43160	0.70590
7	0.07640	0.56840	0.20590
8	0.92360	0.43160	0.79410

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

Atom	x	y	z
1	0.34500	0.26970	0.37050
2	0.65500	0.73030	0.62950
3	0.65500	0.26970	0.12950
4	0.34500	0.73030	0.87050
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5	0.84500	0.76970	0.37050
6	0.15500	0.23030	0.62950
7	0.15500	0.76970	0.12950
8	0.84500	0.23030	0.87050

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

Atom	x	y	z
1	0.08560	0.39000	0.44490
2	0.91440	0.61000	0.55510
3	0.91440	0.39000	0.05510
4	0.08560	0.61000	0.94490
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5	0.58560	0.89000	0.44490
6	0.41440	0.11000	0.55510
7	0.41440	0.89000	0.05510
8	0.58560	0.11000	0.94490

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

Atom	x	y	z
1	0.33770	0.23560	0.03240
2	0.66230	0.76440	0.96760
3	0.66230	0.23560	0.46760
4	0.33770	0.76440	0.53240
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5	0.83770	0.73560	0.03240
6	0.16230	0.26440	0.96760
7	0.16230	0.73560	0.46760
8	0.83770	0.26440	0.53240

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

Atom	x	y	z
1	0.20050	0.09570	0.17270
2	0.79950	0.90430	0.82730
3	0.79950	0.09570	0.32730
4	0.20050	0.90430	0.67270
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5	0.70050	0.59570	0.17270
6	0.29950	0.40430	0.82730
7	0.29950	0.59570	0.32730
8	0.70050	0.40430	0.67270

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

Atom	x	y	z
1	0.20040	0.36470	0.20890
2	0.79960	0.63530	0.79110
3	0.79960	0.36470	0.29110
4	0.20040	0.63530	0.70890
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5	0.70040	0.86470	0.20890
6	0.29960	0.13530	0.79110
7	0.29960	0.86470	0.29110
8	0.70040	0.13530	0.70890

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

Atom	x	y	z
1	0.07600	0.23410	0.15680
2	0.92400	0.76590	0.84320
3	0.92400	0.23410	0.34320
4	0.07600	0.76590	0.65680
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5	0.57600	0.73410	0.15680
6	0.42400	0.26590	0.84320
7	0.42400	0.73410	0.34320
8	0.57600	0.26590	0.65680

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

Atom	x	y	z
1	0.24170	0.08010	0.46820
2	0.75830	0.91990	0.53180
3	0.75830	0.08010	0.03180
4	0.24170	0.91990	0.96820
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5	0.74170	0.58010	0.46820
6	0.25830	0.41990	0.53180
7	0.25830	0.58010	0.03180
8	0.74170	0.41990	0.96820

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

Atom	x	y	z
1	0.07670	0.01340	0.35290
2	0.92330	0.98660	0.64710
3	0.92330	0.01340	0.14710
4	0.07670	0.98660	0.85290
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5	0.57670	0.51340	0.35290
6	0.42330	0.48660	0.64710
7	0.42330	0.51340	0.14710
8	0.57670	0.48660	0.85290

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

Atom	x	y	z
1	0.02440	0.22010	0.00930
2	0.97560	0.77990	0.99070
3	0.97560	0.22010	0.49070
4	0.02440	0.77990	0.50930
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5	0.52440	0.72010	0.00930
6	0.47560	0.27990	0.99070
7	0.47560	0.72010	0.49070
8	0.52440	0.27990	0.50930

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

Atom	x	y	z
1	0.26470	0.15610	0.41450
2	0.73530	0.84390	0.58550
3	0.73530	0.15610	0.08550
4	0.26470	0.84390	0.91450
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5	0.76470	0.65610	0.41450
6	0.23530	0.34390	0.58550
7	0.23530	0.65610	0.08550
8	0.76470	0.34390	0.91450

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

Atom	x	y	z
1	0.20250	0.12880	0.52320
2	0.79750	0.87120	0.47680
3	0.79750	0.12880	0.97680
4	0.20250	0.87120	0.02320
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5	0.70250	0.62880	0.52320
6	0.29750	0.37120	0.47680
7	0.29750	0.62880	0.97680
8	0.70250	0.37120	0.02320

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

Atom	x	y	z
1	0.06350	0.09170	0.28300
2	0.93650	0.90830	0.71700
3	0.93650	0.09170	0.21700
4	0.06350	0.90830	0.78300
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5	0.56350	0.59170	0.28300
6	0.43650	0.40830	0.71700
7	0.43650	0.59170	0.21700
8	0.56350	0.40830	0.78300

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

Atom	x	y	z
1	0.46750	0.45090	0.14060
2	0.53250	0.54910	0.85940
3	0.53250	0.45090	0.35940
4	0.46750	0.54910	0.64060
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5	0.96750	0.95090	0.14060
6	0.03250	0.04910	0.85940
7	0.03250	0.95090	0.35940
8	0.96750	0.04910	0.64060

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.39950	0.25000	4	m_x,0,m_z	2.1(1)	0.0	-3.1(1)	3.93
Mn2	Mn	0.31730	0.40700	0.18620	8	m_x,m_y,m_z	-0.7(1)	0.1(2)	-3.32(6)	3.32
Mn3	Mn	0.32470	0.02860	0.13440	8	m_x,m_y,m_z	0.9(1)	0.3(1)	3.37(6)	3.40

[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 (#0.765)

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

Mn5(PO4)2(PO3(OH))2(HOH)4 (#0.765)

Mn₅(PO₄)₂(PO₃(OH))₂(HOH)₄ (#0.765)