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 }
(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	{ -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	0.39730	0.25000	4	m_x,0,m_z	0.6(2)	0.0	-3.0(1)	3.12
Mn2	Mn	0.31810	0.41110	0.18570	8	m_x,m_y,m_z	1.5(1)	0.1(2)	-3.8(1)	4.24
Mn3	Mn	0.32500	0.02550	0.13340	8	m_x,m_y,m_z	2.9(1)	0.1(2)	2.48(8)	3.60

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.41940	0.18130	0.40910	8
P2	P	0.16010	0.23980	0.12850	8
O1	O	0.51250	0.28600	0.08250	8
O2	O	0.42310	0.06680	0.29400	8
O3	O	0.34590	0.27300	0.36770	8
O4	O	0.08300	0.39120	0.44420	8
O5	O	0.33680	0.23750	0.03190	8
O6	O	0.20160	0.09560	0.17330	8
O7	O	0.20160	0.36600	0.21270	8
O8	O	0.07420	0.23230	0.15740	8
O9	O	0.24020	0.07850	0.47030	8
O10	O	0.07650	0.01260	0.35030	8
D1	D	0.02460	0.22210	0.00920	8
D2	D	0.26380	0.15240	0.41430	8
D3	D	0.20240	0.12870	0.52210	8
D4	D	0.06530	0.09640	0.28310	8
D5	D	0.46870	0.45330	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	0.39730	0.25000	m_x,0,m_z	0.60000	0.00000	-3.00000
2	0.00000	0.60270	0.75000	m_x,0,m_z	0.60000	0.00000	-3.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.89730	0.25000	m_x,0,m_z	0.60000	0.00000	-3.00000
4	0.50000	0.10270	0.75000	m_x,0,m_z	0.60000	0.00000	-3.00000

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	0.31810	0.41110	0.18570	m_x,m_y,m_z	1.50000	0.10000	-3.80000
2	0.68190	0.58890	0.81430	m_x,m_y,m_z	1.50000	0.10000	-3.80000
3	0.68190	0.41110	0.31430	m_x,-m_y,m_z	1.50000	-0.10000	-3.80000
4	0.31810	0.58890	0.68570	m_x,-m_y,m_z	1.50000	-0.10000	-3.80000
(1/2,1/2,0) + set click here to show and hide
5	0.81810	0.91110	0.18570	m_x,m_y,m_z	1.50000	0.10000	-3.80000
6	0.18190	0.08890	0.81430	m_x,m_y,m_z	1.50000	0.10000	-3.80000
7	0.18190	0.91110	0.31430	m_x,-m_y,m_z	1.50000	-0.10000	-3.80000
8	0.81810	0.08890	0.68570	m_x,-m_y,m_z	1.50000	-0.10000	-3.80000

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	0.32500	0.02550	0.13340	m_x,m_y,m_z	2.90000	0.10000	2.48000
2	0.67500	0.97450	0.86660	m_x,m_y,m_z	2.90000	0.10000	2.48000
3	0.67500	0.02550	0.36660	m_x,-m_y,m_z	2.90000	-0.10000	2.48000
4	0.32500	0.97450	0.63340	m_x,-m_y,m_z	2.90000	-0.10000	2.48000
(1/2,1/2,0) + set click here to show and hide
5	0.82500	0.52550	0.13340	m_x,m_y,m_z	2.90000	0.10000	2.48000
6	0.17500	0.47450	0.86660	m_x,m_y,m_z	2.90000	0.10000	2.48000
7	0.17500	0.52550	0.36660	m_x,-m_y,m_z	2.90000	-0.10000	2.48000
8	0.82500	0.47450	0.63340	m_x,-m_y,m_z	2.90000	-0.10000	2.48000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.41940	0.18130	0.40910
2	0.58060	0.81870	0.59090
3	0.58060	0.18130	0.09090
4	0.41940	0.81870	0.90910
(1/2,1/2,0) + set click here to show and hide
5	0.91940	0.68130	0.40910
6	0.08060	0.31870	0.59090
7	0.08060	0.68130	0.09090
8	0.91940	0.31870	0.90910

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

Atom	x	y	z
1	0.16010	0.23980	0.12850
2	0.83990	0.76020	0.87150
3	0.83990	0.23980	0.37150
4	0.16010	0.76020	0.62850
(1/2,1/2,0) + set click here to show and hide
5	0.66010	0.73980	0.12850
6	0.33990	0.26020	0.87150
7	0.33990	0.73980	0.37150
8	0.66010	0.26020	0.62850

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

Atom	x	y	z
1	0.51250	0.28600	0.08250
2	0.48750	0.71400	0.91750
3	0.48750	0.28600	0.41750
4	0.51250	0.71400	0.58250
(1/2,1/2,0) + set click here to show and hide
5	0.01250	0.78600	0.08250
6	0.98750	0.21400	0.91750
7	0.98750	0.78600	0.41750
8	0.01250	0.21400	0.58250

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

Atom	x	y	z
1	0.42310	0.06680	0.29400
2	0.57690	0.93320	0.70600
3	0.57690	0.06680	0.20600
4	0.42310	0.93320	0.79400
(1/2,1/2,0) + set click here to show and hide
5	0.92310	0.56680	0.29400
6	0.07690	0.43320	0.70600
7	0.07690	0.56680	0.20600
8	0.92310	0.43320	0.79400

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

Atom	x	y	z
1	0.34590	0.27300	0.36770
2	0.65410	0.72700	0.63230
3	0.65410	0.27300	0.13230
4	0.34590	0.72700	0.86770
(1/2,1/2,0) + set click here to show and hide
5	0.84590	0.77300	0.36770
6	0.15410	0.22700	0.63230
7	0.15410	0.77300	0.13230
8	0.84590	0.22700	0.86770

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

Atom	x	y	z
1	0.08300	0.39120	0.44420
2	0.91700	0.60880	0.55580
3	0.91700	0.39120	0.05580
4	0.08300	0.60880	0.94420
(1/2,1/2,0) + set click here to show and hide
5	0.58300	0.89120	0.44420
6	0.41700	0.10880	0.55580
7	0.41700	0.89120	0.05580
8	0.58300	0.10880	0.94420

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

Atom	x	y	z
1	0.33680	0.23750	0.03190
2	0.66320	0.76250	0.96810
3	0.66320	0.23750	0.46810
4	0.33680	0.76250	0.53190
(1/2,1/2,0) + set click here to show and hide
5	0.83680	0.73750	0.03190
6	0.16320	0.26250	0.96810
7	0.16320	0.73750	0.46810
8	0.83680	0.26250	0.53190

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

Atom	x	y	z
1	0.20160	0.09560	0.17330
2	0.79840	0.90440	0.82670
3	0.79840	0.09560	0.32670
4	0.20160	0.90440	0.67330
(1/2,1/2,0) + set click here to show and hide
5	0.70160	0.59560	0.17330
6	0.29840	0.40440	0.82670
7	0.29840	0.59560	0.32670
8	0.70160	0.40440	0.67330

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

Atom	x	y	z
1	0.20160	0.36600	0.21270
2	0.79840	0.63400	0.78730
3	0.79840	0.36600	0.28730
4	0.20160	0.63400	0.71270
(1/2,1/2,0) + set click here to show and hide
5	0.70160	0.86600	0.21270
6	0.29840	0.13400	0.78730
7	0.29840	0.86600	0.28730
8	0.70160	0.13400	0.71270

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

Atom	x	y	z
1	0.07420	0.23230	0.15740
2	0.92580	0.76770	0.84260
3	0.92580	0.23230	0.34260
4	0.07420	0.76770	0.65740
(1/2,1/2,0) + set click here to show and hide
5	0.57420	0.73230	0.15740
6	0.42580	0.26770	0.84260
7	0.42580	0.73230	0.34260
8	0.57420	0.26770	0.65740

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

Atom	x	y	z
1	0.24020	0.07850	0.47030
2	0.75980	0.92150	0.52970
3	0.75980	0.07850	0.02970
4	0.24020	0.92150	0.97030
(1/2,1/2,0) + set click here to show and hide
5	0.74020	0.57850	0.47030
6	0.25980	0.42150	0.52970
7	0.25980	0.57850	0.02970
8	0.74020	0.42150	0.97030

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

Atom	x	y	z
1	0.07650	0.01260	0.35030
2	0.92350	0.98740	0.64970
3	0.92350	0.01260	0.14970
4	0.07650	0.98740	0.85030
(1/2,1/2,0) + set click here to show and hide
5	0.57650	0.51260	0.35030
6	0.42350	0.48740	0.64970
7	0.42350	0.51260	0.14970
8	0.57650	0.48740	0.85030

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

Atom	x	y	z
1	0.02460	0.22210	0.00920
2	0.97540	0.77790	0.99080
3	0.97540	0.22210	0.49080
4	0.02460	0.77790	0.50920
(1/2,1/2,0) + set click here to show and hide
5	0.52460	0.72210	0.00920
6	0.47540	0.27790	0.99080
7	0.47540	0.72210	0.49080
8	0.52460	0.27790	0.50920

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

Atom	x	y	z
1	0.26380	0.15240	0.41430
2	0.73620	0.84760	0.58570
3	0.73620	0.15240	0.08570
4	0.26380	0.84760	0.91430
(1/2,1/2,0) + set click here to show and hide
5	0.76380	0.65240	0.41430
6	0.23620	0.34760	0.58570
7	0.23620	0.65240	0.08570
8	0.76380	0.34760	0.91430

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

Atom	x	y	z
1	0.20240	0.12870	0.52210
2	0.79760	0.87130	0.47790
3	0.79760	0.12870	0.97790
4	0.20240	0.87130	0.02210
(1/2,1/2,0) + set click here to show and hide
5	0.70240	0.62870	0.52210
6	0.29760	0.37130	0.47790
7	0.29760	0.62870	0.97790
8	0.70240	0.37130	0.02210

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

Atom	x	y	z
1	0.06530	0.09640	0.28310
2	0.93470	0.90360	0.71690
3	0.93470	0.09640	0.21690
4	0.06530	0.90360	0.78310
(1/2,1/2,0) + set click here to show and hide
5	0.56530	0.59640	0.28310
6	0.43470	0.40360	0.71690
7	0.43470	0.59640	0.21690
8	0.56530	0.40360	0.78310

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

Atom	x	y	z
1	0.46870	0.45330	0.14060
2	0.53130	0.54670	0.85940
3	0.53130	0.45330	0.35940
4	0.46870	0.54670	0.64060
(1/2,1/2,0) + set click here to show and hide
5	0.96870	0.95330	0.14060
6	0.03130	0.04670	0.85940
7	0.03130	0.95330	0.35940
8	0.96870	0.04670	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	0.39730	0.25000	4	m_x,0,m_z	0.6(2)	0.0	-3.0(1)	3.12
Mn2	Mn	0.31810	0.41110	0.18570	8	m_x,m_y,m_z	1.5(1)	0.1(2)	-3.8(1)	4.24
Mn3	Mn	0.32500	0.02550	0.13340	8	m_x,m_y,m_z	2.9(1)	0.1(2)	2.48(8)	3.60

[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 (#0.764)

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

Mn5(PO4)2(PO3(OH))2(HOH)4 (#0.764)

Mn₅(PO₄)₂(PO₃(OH))₂(HOH)₄ (#0.764)