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	{ 2'₀₀₁ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
3	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
4	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.25000	0.75000	4	m_x,m_y,m_z	-4.59	0.86	-1.6	4.94
Fe1	Fe	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	1.83	0.0	-2.9	3.43

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
F1_1	F	0.29100	0.87300	0.19800	4
F1_2	F	0.29100	0.12700	0.19800	4
F2_1	F	0.70900	0.62600	0.30200	4
F2_2	F	0.70900	0.37400	0.30200	4
F3	F	0.00000	0.00000	0.07300	2
F4	F	0.00000	0.50000	0.42700	2
O1	O	0.00000	0.82100	0.44500	4
O2	O	0.00000	0.67900	0.05400	4
H1_1	H	0.10100	0.84000	0.36300	4
H1_2	H	0.10100	0.16000	0.36300	4
H2_1	H	0.89700	0.66000	0.13800	4
H2_2	H	0.89700	0.34000	0.13800	4

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	0.25000	0.75000	m_x,m_y,m_z	-4.59000	0.86000	-1.60000
2	0.00000	0.75000	0.75000	m_x,m_y,-m_z	-4.59000	0.86000	1.60000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.25000	m_x,m_y,m_z	-4.59000	0.86000	-1.60000
4	0.50000	0.25000	0.25000	m_x,m_y,-m_z	-4.59000	0.86000	1.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.00000	m_x,m_y,m_z	1.83000	0.00000	-2.90000
2	0.75000	0.00000	0.00000	m_x,m_y,-m_z	1.83000	0.00000	2.90000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.50000	0.50000	m_x,m_y,m_z	1.83000	0.00000	-2.90000
4	0.25000	0.50000	0.50000	m_x,m_y,-m_z	1.83000	0.00000	2.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.29100	0.87300	0.19800
2	0.70900	0.12700	0.19800
(1/2,1/2,1/2) + set click here to show and hide
3	0.79100	0.37300	0.69800
4	0.20900	0.62700	0.69800

Set of atoms in the unit cell related by symmetry with the atom F1_2:

Atom	x	y	z
1	0.29100	0.12700	0.19800
2	0.70900	0.87300	0.19800
(1/2,1/2,1/2) + set click here to show and hide
3	0.79100	0.62700	0.69800
4	0.20900	0.37300	0.69800

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.70900	0.62600	0.30200
2	0.29100	0.37400	0.30200
(1/2,1/2,1/2) + set click here to show and hide
3	0.20900	0.12600	0.80200
4	0.79100	0.87400	0.80200

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.70900	0.37400	0.30200
2	0.29100	0.62600	0.30200
(1/2,1/2,1/2) + set click here to show and hide
3	0.20900	0.87400	0.80200
4	0.79100	0.12600	0.80200

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.00000	0.00000	0.07300
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.57300

Set of atoms in the unit cell related by symmetry with the atom F4:

Atom	x	y	z
1	0.00000	0.50000	0.42700
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.00000	0.92700

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

Atom	x	y	z
1	0.00000	0.82100	0.44500
2	0.00000	0.17900	0.44500
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.32100	0.94500
4	0.50000	0.67900	0.94500

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

Atom	x	y	z
1	0.00000	0.67900	0.05400
2	0.00000	0.32100	0.05400
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.17900	0.55400
4	0.50000	0.82100	0.55400

Set of atoms in the unit cell related by symmetry with the atom H1_1:

Atom	x	y	z
1	0.10100	0.84000	0.36300
2	0.89900	0.16000	0.36300
(1/2,1/2,1/2) + set click here to show and hide
3	0.60100	0.34000	0.86300
4	0.39900	0.66000	0.86300

Set of atoms in the unit cell related by symmetry with the atom H1_2:

Atom	x	y	z
1	0.10100	0.16000	0.36300
2	0.89900	0.84000	0.36300
(1/2,1/2,1/2) + set click here to show and hide
3	0.60100	0.66000	0.86300
4	0.39900	0.34000	0.86300

Set of atoms in the unit cell related by symmetry with the atom H2_1:

Atom	x	y	z
1	0.89700	0.66000	0.13800
2	0.10300	0.34000	0.13800
(1/2,1/2,1/2) + set click here to show and hide
3	0.39700	0.16000	0.63800
4	0.60300	0.84000	0.63800

Set of atoms in the unit cell related by symmetry with the atom H2_2:

Atom	x	y	z
1	0.89700	0.34000	0.13800
2	0.10300	0.66000	0.13800
(1/2,1/2,1/2) + set click here to show and hide
3	0.39700	0.84000	0.63800
4	0.60300	0.16000	0.63800

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.25000	0.75000	4	m_x,m_y,m_z	-4.59	0.86	-1.6	4.94
Fe1	Fe	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	1.83	0.0	-2.9	3.43

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