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+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
7	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
8	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
11	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
12	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
15	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

[Hide]

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\|
Fe1_1	Fe	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	2.59(3)	0.0	-2.90(4)	3.89
Fe1_2	Fe	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	-2.59	0.0	-2.9	3.89

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1_1	P	0.16210	0.25000	0.01785	8
P1_2	P	0.08790	0.75000	0.26785	8
Na1_1	Na	0.32520	0.25000	0.48520	8
Na1_2	Na	0.92480	0.75000	0.73520	8
O1_1	O	0.18930	0.43170	0.09095	16
O1_2	O	0.06070	0.56830	0.34095	16
O2_1	O	0.19190	0.25000	0.37500	8
O2_2	O	0.05810	0.75000	0.62500	8
O3_1	O	0.07580	0.25000	0.02500	8
O3_2	O	0.17420	0.75000	0.27500	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	0.00000	0.00000	0.00000	m_x,m_y,m_z	2.59000	0.00000	-2.90000
2	0.50000	0.50000	0.00000	-m_x,m_y,-m_z	-2.59000	0.00000	2.90000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,m_z	2.59000	0.00000	-2.90000
4	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-2.59000	0.00000	2.90000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-2.59000	0.00000	2.90000
6	0.00000	0.50000	0.00000	m_x,-m_y,m_z	2.59000	0.00000	-2.90000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-2.59000	0.00000	2.90000
8	0.50000	0.50000	0.50000	m_x,-m_y,m_z	2.59000	0.00000	-2.90000

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	0.25000	0.00000	0.25000	m_x,m_y,m_z	-2.59000	0.00000	-2.90000
2	0.25000	0.50000	0.75000	-m_x,m_y,-m_z	2.59000	0.00000	2.90000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.75000	m_x,m_y,m_z	-2.59000	0.00000	-2.90000
4	0.75000	0.50000	0.25000	-m_x,m_y,-m_z	2.59000	0.00000	2.90000
(1/2,0,0)' + set click here to show and hide
5	0.75000	0.00000	0.25000	-m_x,-m_y,-m_z	2.59000	0.00000	2.90000
6	0.75000	0.50000	0.75000	m_x,-m_y,m_z	-2.59000	0.00000	-2.90000
(0,0,1/2)' + set click here to show and hide
7	0.25000	0.00000	0.75000	-m_x,-m_y,-m_z	2.59000	0.00000	2.90000
8	0.25000	0.50000	0.25000	m_x,-m_y,m_z	-2.59000	0.00000	-2.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1_1:

Atom	x	y	z
1	0.16210	0.25000	0.01785
2	0.33790	0.75000	0.98215
(1/2,0,1/2) + set click here to show and hide
3	0.66210	0.25000	0.51785
4	0.83790	0.75000	0.48215
(1/2,0,0)' + set click here to show and hide
5	0.66210	0.25000	0.01785
6	0.83790	0.75000	0.98215
(0,0,1/2)' + set click here to show and hide
7	0.16210	0.25000	0.51785
8	0.33790	0.75000	0.48215

Set of atoms in the unit cell related by symmetry with the atom P1_2:

Atom	x	y	z
1	0.08790	0.75000	0.26785
2	0.41210	0.25000	0.73215
(1/2,0,1/2) + set click here to show and hide
3	0.58790	0.75000	0.76785
4	0.91210	0.25000	0.23215
(1/2,0,0)' + set click here to show and hide
5	0.58790	0.75000	0.26785
6	0.91210	0.25000	0.73215
(0,0,1/2)' + set click here to show and hide
7	0.08790	0.75000	0.76785
8	0.41210	0.25000	0.23215

Set of atoms in the unit cell related by symmetry with the atom Na1_1:

Atom	x	y	z
1	0.32520	0.25000	0.48520
2	0.17480	0.75000	0.51480
(1/2,0,1/2) + set click here to show and hide
3	0.82520	0.25000	0.98520
4	0.67480	0.75000	0.01480
(1/2,0,0)' + set click here to show and hide
5	0.82520	0.25000	0.48520
6	0.67480	0.75000	0.51480
(0,0,1/2)' + set click here to show and hide
7	0.32520	0.25000	0.98520
8	0.17480	0.75000	0.01480

Set of atoms in the unit cell related by symmetry with the atom Na1_2:

Atom	x	y	z
1	0.92480	0.75000	0.73520
2	0.57520	0.25000	0.26480
(1/2,0,1/2) + set click here to show and hide
3	0.42480	0.75000	0.23520
4	0.07520	0.25000	0.76480
(1/2,0,0)' + set click here to show and hide
5	0.42480	0.75000	0.73520
6	0.07520	0.25000	0.26480
(0,0,1/2)' + set click here to show and hide
7	0.92480	0.75000	0.23520
8	0.57520	0.25000	0.76480

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

Atom	x	y	z
1	0.18930	0.43170	0.09095
2	0.31070	0.93170	0.90905
3	0.81070	0.56830	0.90905
4	0.68930	0.06830	0.09095
(1/2,0,1/2) + set click here to show and hide
5	0.68930	0.43170	0.59095
6	0.81070	0.93170	0.40905
7	0.31070	0.56830	0.40905
8	0.18930	0.06830	0.59095
(1/2,0,0)' + set click here to show and hide
9	0.68930	0.43170	0.09095
10	0.81070	0.93170	0.90905
11	0.31070	0.56830	0.90905
12	0.18930	0.06830	0.09095
(0,0,1/2)' + set click here to show and hide
13	0.18930	0.43170	0.59095
14	0.31070	0.93170	0.40905
15	0.81070	0.56830	0.40905
16	0.68930	0.06830	0.59095

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

Atom	x	y	z
1	0.06070	0.56830	0.34095
2	0.43930	0.06830	0.65905
3	0.93930	0.43170	0.65905
4	0.56070	0.93170	0.34095
(1/2,0,1/2) + set click here to show and hide
5	0.56070	0.56830	0.84095
6	0.93930	0.06830	0.15905
7	0.43930	0.43170	0.15905
8	0.06070	0.93170	0.84095
(1/2,0,0)' + set click here to show and hide
9	0.56070	0.56830	0.34095
10	0.93930	0.06830	0.65905
11	0.43930	0.43170	0.65905
12	0.06070	0.93170	0.34095
(0,0,1/2)' + set click here to show and hide
13	0.06070	0.56830	0.84095
14	0.43930	0.06830	0.15905
15	0.93930	0.43170	0.15905
16	0.56070	0.93170	0.84095

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

Atom	x	y	z
1	0.19190	0.25000	0.37500
2	0.30810	0.75000	0.62500
(1/2,0,1/2) + set click here to show and hide
3	0.69190	0.25000	0.87500
4	0.80810	0.75000	0.12500
(1/2,0,0)' + set click here to show and hide
5	0.69190	0.25000	0.37500
6	0.80810	0.75000	0.62500
(0,0,1/2)' + set click here to show and hide
7	0.19190	0.25000	0.87500
8	0.30810	0.75000	0.12500

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

Atom	x	y	z
1	0.05810	0.75000	0.62500
2	0.44190	0.25000	0.37500
(1/2,0,1/2) + set click here to show and hide
3	0.55810	0.75000	0.12500
4	0.94190	0.25000	0.87500
(1/2,0,0)' + set click here to show and hide
5	0.55810	0.75000	0.62500
6	0.94190	0.25000	0.37500
(0,0,1/2)' + set click here to show and hide
7	0.05810	0.75000	0.12500
8	0.44190	0.25000	0.87500

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

Atom	x	y	z
1	0.07580	0.25000	0.02500
2	0.42420	0.75000	0.97500
(1/2,0,1/2) + set click here to show and hide
3	0.57580	0.25000	0.52500
4	0.92420	0.75000	0.47500
(1/2,0,0)' + set click here to show and hide
5	0.57580	0.25000	0.02500
6	0.92420	0.75000	0.97500
(0,0,1/2)' + set click here to show and hide
7	0.07580	0.25000	0.52500
8	0.42420	0.75000	0.47500

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

Atom	x	y	z
1	0.17420	0.75000	0.27500
2	0.32580	0.25000	0.72500
(1/2,0,1/2) + set click here to show and hide
3	0.67420	0.75000	0.77500
4	0.82580	0.25000	0.22500
(1/2,0,0)' + set click here to show and hide
5	0.67420	0.75000	0.27500
6	0.82580	0.25000	0.72500
(0,0,1/2)' + set click here to show and hide
7	0.17420	0.75000	0.77500
8	0.32580	0.25000	0.22500

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	2.59(3)	0.0	-2.90(4)	3.89
Fe1_2	Fe	0.25000	0.00000	0.25000	8	m_x,m_y,m_z	-2.59	0.0	-2.9	3.89

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

label	dim. small irrep	dim. full irrep	action	number of modes
mU2+U3+	2	2	primary	6

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

NaFePO₄ (#1.117)

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

NaFePO4 (#1.117)

NaFePO₄ (#1.117)