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,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(0,1/2,0)' + set click here to show and hide
3	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
4	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 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+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
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\|
Fe1_1	Fe	0.6211(14)	0.1411(4)	0.1373(11)	8	m_x,m_y,m_z	-1.59(6)	0.0	3.06(3)	3.45
Fe1_2	Fe	0.8711(14)	0.1089(5)	0.8627(11)	8	m_x,m_y,m_z	-0.82(8)	3.03(2)	1.40(7)	3.44

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Lu_1	Lu	0.7549(14)	0.3961(8)	0.0435(12)	8
Lu_2	Lu	0.0049(15)	0.3539(7)	-0.0435(11)	8
W1_1	W	0.6288(16)	0.4024(10)	0.3525(14)	8
W1_2	W	0.8788(15)	0.3476(11)	0.6475(15)	8
O1_1	O	0.6465(15)	0.2401(11)	-0.0266(14)	8
O1_2	O	0.8965(14)	0.0099(9)	0.0266(12)	8
O2_1	O	0.6005(16)	0.0032(10)	0.5247(14)	8
O2_2	O	0.8505(16)	0.2468(10)	0.4753(13)	8
O3_1	O	0.6599(15)	0.3207(9)	0.2133(12)	8
O3_2	O	-0.0901(15)	0.4293(7)	0.7867(12)	8
O4_1	O	0.5906(14)	0.06445(9)	0.2935(13)	8
O4_2	O	0.8406(14)	0.1856(10)	0.7065(13)	8
O5_1	O	0.7532(17)	0.0906(10)	0.1433(13)	8
O5_2	O	0.0032(15)	0.1594(8)	0.8567(12)	8
O6_1	O	0.4974(16)	0.2193(7)	0.1167(12)	8
O6_2	O	0.7474(15)	0.0306(8)	0.8833(13)	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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62110	0.14110	0.13730	m_x,m_y,m_z	-1.59000	0.00000	3.06000
2	0.62110	0.85890	0.63730	-m_x,m_y,-m_z	1.59000	0.00000	-3.06000
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3	0.62110	0.64110	0.13730	-m_x,-m_y,-m_z	1.59000	0.00000	-3.06000
4	0.62110	0.35890	0.63730	m_x,-m_y,m_z	-1.59000	0.00000	3.06000
(1/2,1/2,0) + set click here to show and hide
5	0.12110	0.64110	0.13730	m_x,m_y,m_z	-1.59000	0.00000	3.06000
6	0.12110	0.35890	0.63730	-m_x,m_y,-m_z	1.59000	0.00000	-3.06000
(1/2,0,0)' + set click here to show and hide
7	0.12110	0.14110	0.13730	-m_x,-m_y,-m_z	1.59000	0.00000	-3.06000
8	0.12110	0.85890	0.63730	m_x,-m_y,m_z	-1.59000	0.00000	3.06000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87110	0.10890	0.86270	m_x,m_y,m_z	-0.82000	3.03000	1.40000
2	0.87110	0.89110	0.36270	-m_x,m_y,-m_z	0.82000	3.03000	-1.40000
(0,1/2,0)' + set click here to show and hide
3	0.87110	0.60890	0.86270	-m_x,-m_y,-m_z	0.82000	-3.03000	-1.40000
4	0.87110	0.39110	0.36270	m_x,-m_y,m_z	-0.82000	-3.03000	1.40000
(1/2,1/2,0) + set click here to show and hide
5	0.37110	0.60890	0.86270	m_x,m_y,m_z	-0.82000	3.03000	1.40000
6	0.37110	0.39110	0.36270	-m_x,m_y,-m_z	0.82000	3.03000	-1.40000
(1/2,0,0)' + set click here to show and hide
7	0.37110	0.10890	0.86270	-m_x,-m_y,-m_z	0.82000	-3.03000	-1.40000
8	0.37110	0.89110	0.36270	m_x,-m_y,m_z	-0.82000	-3.03000	1.40000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Lu_1:

Atom	x	y	z
1	0.75490	0.39610	0.04350
2	0.75490	0.60390	0.54350
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3	0.75490	0.89610	0.04350
4	0.75490	0.10390	0.54350
(1/2,1/2,0) + set click here to show and hide
5	0.25490	0.89610	0.04350
6	0.25490	0.10390	0.54350
(1/2,0,0)' + set click here to show and hide
7	0.25490	0.39610	0.04350
8	0.25490	0.60390	0.54350

Set of atoms in the unit cell related by symmetry with the atom Lu_2:

Atom	x	y	z
1	0.00490	0.35390	0.95650
2	0.00490	0.64610	0.45650
(0,1/2,0)' + set click here to show and hide
3	0.00490	0.85390	0.95650
4	0.00490	0.14610	0.45650
(1/2,1/2,0) + set click here to show and hide
5	0.50490	0.85390	0.95650
6	0.50490	0.14610	0.45650
(1/2,0,0)' + set click here to show and hide
7	0.50490	0.35390	0.95650
8	0.50490	0.64610	0.45650

Set of atoms in the unit cell related by symmetry with the atom W1_1:

Atom	x	y	z
1	0.62880	0.40240	0.35250
2	0.62880	0.59760	0.85250
(0,1/2,0)' + set click here to show and hide
3	0.62880	0.90240	0.35250
4	0.62880	0.09760	0.85250
(1/2,1/2,0) + set click here to show and hide
5	0.12880	0.90240	0.35250
6	0.12880	0.09760	0.85250
(1/2,0,0)' + set click here to show and hide
7	0.12880	0.40240	0.35250
8	0.12880	0.59760	0.85250

Set of atoms in the unit cell related by symmetry with the atom W1_2:

Atom	x	y	z
1	0.87880	0.34760	0.64750
2	0.87880	0.65240	0.14750
(0,1/2,0)' + set click here to show and hide
3	0.87880	0.84760	0.64750
4	0.87880	0.15240	0.14750
(1/2,1/2,0) + set click here to show and hide
5	0.37880	0.84760	0.64750
6	0.37880	0.15240	0.14750
(1/2,0,0)' + set click here to show and hide
7	0.37880	0.34760	0.64750
8	0.37880	0.65240	0.14750

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.64650	0.24010	0.97340
2	0.64650	0.75990	0.47340
(0,1/2,0)' + set click here to show and hide
3	0.64650	0.74010	0.97340
4	0.64650	0.25990	0.47340
(1/2,1/2,0) + set click here to show and hide
5	0.14650	0.74010	0.97340
6	0.14650	0.25990	0.47340
(1/2,0,0)' + set click here to show and hide
7	0.14650	0.24010	0.97340
8	0.14650	0.75990	0.47340

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.89650	0.00990	0.02660
2	0.89650	0.99010	0.52660
(0,1/2,0)' + set click here to show and hide
3	0.89650	0.50990	0.02660
4	0.89650	0.49010	0.52660
(1/2,1/2,0) + set click here to show and hide
5	0.39650	0.50990	0.02660
6	0.39650	0.49010	0.52660
(1/2,0,0)' + set click here to show and hide
7	0.39650	0.00990	0.02660
8	0.39650	0.99010	0.52660

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.60050	0.00320	0.52470
2	0.60050	0.99680	0.02470
(0,1/2,0)' + set click here to show and hide
3	0.60050	0.50320	0.52470
4	0.60050	0.49680	0.02470
(1/2,1/2,0) + set click here to show and hide
5	0.10050	0.50320	0.52470
6	0.10050	0.49680	0.02470
(1/2,0,0)' + set click here to show and hide
7	0.10050	0.00320	0.52470
8	0.10050	0.99680	0.02470

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.85050	0.24680	0.47530
2	0.85050	0.75320	0.97530
(0,1/2,0)' + set click here to show and hide
3	0.85050	0.74680	0.47530
4	0.85050	0.25320	0.97530
(1/2,1/2,0) + set click here to show and hide
5	0.35050	0.74680	0.47530
6	0.35050	0.25320	0.97530
(1/2,0,0)' + set click here to show and hide
7	0.35050	0.24680	0.47530
8	0.35050	0.75320	0.97530

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.65990	0.32070	0.21330
2	0.65990	0.67930	0.71330
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3	0.65990	0.82070	0.21330
4	0.65990	0.17930	0.71330
(1/2,1/2,0) + set click here to show and hide
5	0.15990	0.82070	0.21330
6	0.15990	0.17930	0.71330
(1/2,0,0)' + set click here to show and hide
7	0.15990	0.32070	0.21330
8	0.15990	0.67930	0.71330

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.90990	0.42930	0.78670
2	0.90990	0.57070	0.28670
(0,1/2,0)' + set click here to show and hide
3	0.90990	0.92930	0.78670
4	0.90990	0.07070	0.28670
(1/2,1/2,0) + set click here to show and hide
5	0.40990	0.92930	0.78670
6	0.40990	0.07070	0.28670
(1/2,0,0)' + set click here to show and hide
7	0.40990	0.42930	0.78670
8	0.40990	0.57070	0.28670

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.59060	0.06445	0.29350
2	0.59060	0.93555	0.79350
(0,1/2,0)' + set click here to show and hide
3	0.59060	0.56445	0.29350
4	0.59060	0.43555	0.79350
(1/2,1/2,0) + set click here to show and hide
5	0.09060	0.56445	0.29350
6	0.09060	0.43555	0.79350
(1/2,0,0)' + set click here to show and hide
7	0.09060	0.06445	0.29350
8	0.09060	0.93555	0.79350

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.84060	0.18560	0.70650
2	0.84060	0.81440	0.20650
(0,1/2,0)' + set click here to show and hide
3	0.84060	0.68560	0.70650
4	0.84060	0.31440	0.20650
(1/2,1/2,0) + set click here to show and hide
5	0.34060	0.68560	0.70650
6	0.34060	0.31440	0.20650
(1/2,0,0)' + set click here to show and hide
7	0.34060	0.18560	0.70650
8	0.34060	0.81440	0.20650

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.75320	0.09060	0.14330
2	0.75320	0.90940	0.64330
(0,1/2,0)' + set click here to show and hide
3	0.75320	0.59060	0.14330
4	0.75320	0.40940	0.64330
(1/2,1/2,0) + set click here to show and hide
5	0.25320	0.59060	0.14330
6	0.25320	0.40940	0.64330
(1/2,0,0)' + set click here to show and hide
7	0.25320	0.09060	0.14330
8	0.25320	0.90940	0.64330

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.00320	0.15940	0.85670
2	0.00320	0.84060	0.35670
(0,1/2,0)' + set click here to show and hide
3	0.00320	0.65940	0.85670
4	0.00320	0.34060	0.35670
(1/2,1/2,0) + set click here to show and hide
5	0.50320	0.65940	0.85670
6	0.50320	0.34060	0.35670
(1/2,0,0)' + set click here to show and hide
7	0.50320	0.15940	0.85670
8	0.50320	0.84060	0.35670

Set of atoms in the unit cell related by symmetry with the atom O6_1:

Atom	x	y	z
1	0.49740	0.21930	0.11670
2	0.49740	0.78070	0.61670
(0,1/2,0)' + set click here to show and hide
3	0.49740	0.71930	0.11670
4	0.49740	0.28070	0.61670
(1/2,1/2,0) + set click here to show and hide
5	0.99740	0.71930	0.11670
6	0.99740	0.28070	0.61670
(1/2,0,0)' + set click here to show and hide
7	0.99740	0.21930	0.11670
8	0.99740	0.78070	0.61670

Set of atoms in the unit cell related by symmetry with the atom O6_2:

Atom	x	y	z
1	0.74740	0.03060	0.88330
2	0.74740	0.96940	0.38330
(0,1/2,0)' + set click here to show and hide
3	0.74740	0.53060	0.88330
4	0.74740	0.46940	0.38330
(1/2,1/2,0) + set click here to show and hide
5	0.24740	0.53060	0.88330
6	0.24740	0.46940	0.38330
(1/2,0,0)' + set click here to show and hide
7	0.24740	0.03060	0.88330
8	0.24740	0.96940	0.38330

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.6211(14)	0.1411(4)	0.1373(11)	8	m_x,m_y,m_z	-1.59(6)	0.0	3.06(3)	3.45
Fe1_2	Fe	0.8711(14)	0.1089(5)	0.8627(11)	8	m_x,m_y,m_z	-0.82(8)	3.03(2)	1.40(7)	3.44

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mT1	2	2	special	primary	6

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

LuFeWO₆ (#1.829)

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

LuFeWO6 (#1.829)

LuFeWO₆ (#1.829)