MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
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	{ m₀₀₁ \| 1/2 1/2 1/2 }
5	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
6	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
7	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Cu1_1	Cu	0.71680	0.38326	0.09807	0.495	8	m_x,m_y,m_z	0.0	0.0	0.00
Cu1_2	Cu	0.28320	0.61674	0.90193	0.495	8	m_x,m_y,m_z	0.0	0.0	0.00
Fe2_1	Fe	0.71680	0.38326	0.09807	0.505	8	m_x,m_y,m_z	-1.56(2)	1.36(2)	2.07
Fe2_2	Fe	0.28320	0.61674	0.90193	0.505	8	m_x,m_y,m_z	1.56	1.36	2.07

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1_1	Y	0.20920	0.36192	0.18413	1.	8
Y1_2	Y	0.79080	0.63808	0.81587	1.	8
Sr1	Sr	0.20670	0.36570	0.00000	1.	8
O1	O	0.19600	0.10894	0.00000	1.	8
O2_1	O	0.00000	0.50000	0.10631	1.	4
O2_2	O	0.00000	0.50000	0.89369	1.	4
O3	O	0.50000	0.00000	0.25000	1.	4
O4	O	0.00000	0.22246	0.25000	1.	8
O5_1	O	0.45650	0.25276	0.10793	1.	8
O5_2	O	0.54350	0.74724	0.89207	1.	8
O6_1	O	0.00000	0.00000	0.35581	1.	4
O6_2	O	0.00000	0.00000	0.64419	1.	4

[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 Cu1_1:

Atom	x	y	z	Symmetry constraints on M
1	0.71680	0.38326	0.09807	m_x,m_y,m_z
2	0.28320	0.61674	0.09807	-m_x,-m_y,m_z
3	0.78320	0.11674	0.40193	m_x,m_y,m_z
4	0.21680	0.88326	0.40193	-m_x,-m_y,m_z
5	0.21680	0.11674	0.90193	-m_x,m_y,m_z
6	0.78320	0.88326	0.90193	m_x,-m_y,m_z
7	0.28320	0.38326	0.59807	-m_x,m_y,m_z
8	0.71680	0.61674	0.59807	m_x,-m_y,m_z

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_2:

Atom	x	y	z	Symmetry constraints on M
1	0.28320	0.61674	0.90193	m_x,m_y,m_z
2	0.71680	0.38326	0.90193	-m_x,-m_y,m_z
3	0.21680	0.88326	0.59807	m_x,m_y,m_z
4	0.78320	0.11674	0.59807	-m_x,-m_y,m_z
5	0.78320	0.88326	0.09807	-m_x,m_y,m_z
6	0.21680	0.11674	0.09807	m_x,-m_y,m_z
7	0.71680	0.61674	0.40193	-m_x,m_y,m_z
8	0.28320	0.38326	0.40193	m_x,-m_y,m_z

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.71680	0.38326	0.09807	m_x,m_y,m_z	-1.56000	1.36000
2	0.28320	0.61674	0.09807	-m_x,-m_y,m_z	1.56000	-1.36000
3	0.78320	0.11674	0.40193	m_x,m_y,m_z	-1.56000	1.36000
4	0.21680	0.88326	0.40193	-m_x,-m_y,m_z	1.56000	-1.36000
5	0.21680	0.11674	0.90193	-m_x,m_y,m_z	1.56000	1.36000
6	0.78320	0.88326	0.90193	m_x,-m_y,m_z	-1.56000	-1.36000
7	0.28320	0.38326	0.59807	-m_x,m_y,m_z	1.56000	1.36000
8	0.71680	0.61674	0.59807	m_x,-m_y,m_z	-1.56000	-1.36000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.28320	0.61674	0.90193	m_x,m_y,m_z	1.56000	1.36000
2	0.71680	0.38326	0.90193	-m_x,-m_y,m_z	-1.56000	-1.36000
3	0.21680	0.88326	0.59807	m_x,m_y,m_z	1.56000	1.36000
4	0.78320	0.11674	0.59807	-m_x,-m_y,m_z	-1.56000	-1.36000
5	0.78320	0.88326	0.09807	-m_x,m_y,m_z	-1.56000	1.36000
6	0.21680	0.11674	0.09807	m_x,-m_y,m_z	1.56000	-1.36000
7	0.71680	0.61674	0.40193	-m_x,m_y,m_z	-1.56000	1.36000
8	0.28320	0.38326	0.40193	m_x,-m_y,m_z	1.56000	-1.36000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1_1:

Atom	x	y	z
1	0.20920	0.36192	0.18413
2	0.79080	0.63808	0.18413
3	0.29080	0.13808	0.31587
4	0.70920	0.86192	0.31587
5	0.70920	0.13808	0.81587
6	0.29080	0.86192	0.81587
7	0.79080	0.36192	0.68413
8	0.20920	0.63808	0.68413

Set of atoms in the unit cell related by symmetry with the atom Y1_2:

Atom	x	y	z
1	0.79080	0.63808	0.81587
2	0.20920	0.36192	0.81587
3	0.70920	0.86192	0.68413
4	0.29080	0.13808	0.68413
5	0.29080	0.86192	0.18413
6	0.70920	0.13808	0.18413
7	0.20920	0.63808	0.31587
8	0.79080	0.36192	0.31587

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.20670	0.36570	0.00000
2	0.79330	0.63430	0.00000
3	0.29330	0.13430	0.50000
4	0.70670	0.86570	0.50000
5	0.70670	0.13430	0.00000
6	0.29330	0.86570	0.00000
7	0.79330	0.36570	0.50000
8	0.20670	0.63430	0.50000

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

Atom	x	y	z
1	0.19600	0.10894	0.00000
2	0.80400	0.89106	0.00000
3	0.30400	0.39106	0.50000
4	0.69600	0.60894	0.50000
5	0.69600	0.39106	0.00000
6	0.30400	0.60894	0.00000
7	0.80400	0.10894	0.50000
8	0.19600	0.89106	0.50000

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

Atom	x	y	z
1	0.00000	0.50000	0.10631
2	0.50000	0.00000	0.39369
3	0.50000	0.00000	0.89369
4	0.00000	0.50000	0.60631

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

Atom	x	y	z
1	0.00000	0.50000	0.89369
2	0.50000	0.00000	0.60631
3	0.50000	0.00000	0.10631
4	0.00000	0.50000	0.39369

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

Atom	x	y	z
1	0.50000	0.00000	0.25000
2	0.00000	0.50000	0.25000
3	0.00000	0.50000	0.75000
4	0.50000	0.00000	0.75000

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

Atom	x	y	z
1	0.00000	0.22246	0.25000
2	0.00000	0.77754	0.25000
3	0.50000	0.27754	0.25000
4	0.50000	0.72246	0.25000
5	0.50000	0.27754	0.75000
6	0.50000	0.72246	0.75000
7	0.00000	0.22246	0.75000
8	0.00000	0.77754	0.75000

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

Atom	x	y	z
1	0.45650	0.25276	0.10793
2	0.54350	0.74724	0.10793
3	0.04350	0.24724	0.39207
4	0.95650	0.75276	0.39207
5	0.95650	0.24724	0.89207
6	0.04350	0.75276	0.89207
7	0.54350	0.25276	0.60793
8	0.45650	0.74724	0.60793

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

Atom	x	y	z
1	0.54350	0.74724	0.89207
2	0.45650	0.25276	0.89207
3	0.95650	0.75276	0.60793
4	0.04350	0.24724	0.60793
5	0.04350	0.75276	0.10793
6	0.95650	0.24724	0.10793
7	0.45650	0.74724	0.39207
8	0.54350	0.25276	0.39207

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

Atom	x	y	z
1	0.00000	0.00000	0.35581
2	0.50000	0.50000	0.14419
3	0.50000	0.50000	0.64419
4	0.00000	0.00000	0.85581

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

Atom	x	y	z
1	0.00000	0.00000	0.64419
2	0.50000	0.50000	0.85581
3	0.50000	0.50000	0.35581
4	0.00000	0.00000	0.14419

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Cu1_1	Cu	0.71680	0.38326	0.09807	0.495	8	m_x,m_y,m_z	0.0	0.0	0.00
Cu1_2	Cu	0.28320	0.61674	0.90193	0.495	8	m_x,m_y,m_z	0.0	0.0	0.00
Fe2_1	Fe	0.71680	0.38326	0.09807	0.505	8	m_x,m_y,m_z	-1.56(2)	1.36(2)	2.07
Fe2_2	Fe	0.28320	0.61674	0.90193	0.505	8	m_x,m_y,m_z	1.56	1.36	2.07

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: