MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-y,-x,-z+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
5	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
8	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,-x,-z,+1	2_1-10
3	-x,-y,-z,+1	-1
4	y,x,z,+1	m_1-10
5	y,x,-z,-1	2'₁₁₀
6	-x,-y,z,-1	2'₀₀₁
7	-y,-x,z,-1	m'₁₁₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe7	Fe	0.33333	0.66667	0.74568	0.5	4	m_x,-m_x,m_z	-1.386	1.386	2.40
Fe4	Fe	0.33333	0.66667	0.92578	0.922	4	m_x,-m_x,m_z	-1.848	1.848	3.20
Fe3_1	Fe	0.50000	0.00000	0.00000	0.667	4	m_x,m_y,m_z	-1.674	1.674	2.90
Fe3_2	Fe	0.50000	0.50000	0.00000	0.667	2	m_x,-m_x,m_z	-1.674	1.674	2.90
Fe1	Fe	0.00000	0.00000	0.05608	0.861	4	m_x,-m_x,m_z	2.425	-2.425	4.20
Fe2	Fe	0.33333	0.66667	0.09305	0.889	4	m_x,-m_x,m_z	1.905	-1.905	3.30
Fe6	Fe	0.33333	0.66667	0.20840	0.983	4	m_x,-m_x,m_z	2.194	-2.194	3.80
Fe5_1	Fe	0.83536	0.67072	0.15114	0.921	8	m_x,m_y,m_z	-2.021	2.021	3.50
Fe5_2	Fe	0.83536	0.16464	0.15114	0.921	4	m_x,-m_x,m_z	-2.021	2.021	3.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.00000	0.25000	1.	2
Co4	Co	0.33333	0.66667	0.92578	0.078	4
Co3_1	Co	0.50000	0.00000	0.00000	0.333	4
Co3_2	Co	0.50000	0.50000	0.00000	0.333	2
Co1	Co	0.00000	0.00000	0.05608	0.14	4
Co2	Co	0.33333	0.66667	0.09305	0.111	4
Co6	Co	0.33333	0.66667	0.20840	0.017	4
Co5_1	Co	0.83536	0.67072	0.15114	0.079	8
Co5_2	Co	0.83536	0.16464	0.15114	0.079	4
O1_1	O	0.82510	0.65040	0.03663	1.	8
O1_2	O	0.34960	0.17470	0.03663	1.	8
O1_3	O	0.82530	0.17490	0.03663	1.	4
O2	O	0.33333	0.66667	0.03495	1.	4
O3_1	O	0.51080	0.02150	0.11088	1.	8
O3_2	O	0.97850	0.48930	0.11088	1.	8
O3_3	O	0.51070	0.48920	0.11088	1.	4
O4	O	0.00000	0.00000	0.11353	1.	4
O5_1	O	0.16320	0.32630	0.18000	1.	8
O5_2	O	0.67370	0.83690	0.18000	1.	8
O5_3	O	0.16310	0.83680	0.18000	1.	4
O6	O	0.33333	0.66667	0.81920	1.	4
O7_1	O	0.48320	0.96640	0.25000	1.	4
O7_2	O	0.48320	0.51680	0.25000	1.	2

[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 Fe7:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.33333	0.66667	0.74568	m_x,-m_x,m_z	-1.38600	1.38600
2	0.33333	0.66667	0.75432	m_x,-m_x,-m_z	-1.38600	1.38600
3	0.66667	0.33333	0.25432	m_x,-m_x,m_z	-1.38600	1.38600
4	0.66667	0.33333	0.24568	m_x,-m_x,-m_z	-1.38600	1.38600

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.33333	0.66667	0.92578	m_x,-m_x,m_z	-1.84800	1.84800
2	0.33333	0.66667	0.57422	m_x,-m_x,-m_z	-1.84800	1.84800
3	0.66667	0.33333	0.07422	m_x,-m_x,m_z	-1.84800	1.84800
4	0.66667	0.33333	0.42578	m_x,-m_x,-m_z	-1.84800	1.84800

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-1.67400	1.67400
2	0.00000	0.50000	0.50000	-m_y,-m_x,-m_z	-1.67400	1.67400
3	0.00000	0.50000	0.00000	-m_y,-m_x,m_z	-1.67400	1.67400
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-1.67400	1.67400

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.00000	m_x,-m_x,m_z	-1.67400	1.67400	0.00000
2	0.50000	0.50000	0.50000	m_x,-m_x,-m_z	-1.67400	1.67400	0.00000

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

Atom	z	Symmetry constraints on M	M_x	M_y
1	0.05608	m_x,-m_x,m_z	2.42500	-2.42500
2	0.44392	m_x,-m_x,-m_z	2.42500	-2.42500
3	0.94392	m_x,-m_x,m_z	2.42500	-2.42500
4	0.55608	m_x,-m_x,-m_z	2.42500	-2.42500

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.33333	0.66667	0.09305	m_x,-m_x,m_z	1.90500	-1.90500
2	0.33333	0.66667	0.40695	m_x,-m_x,-m_z	1.90500	-1.90500
3	0.66667	0.33333	0.90695	m_x,-m_x,m_z	1.90500	-1.90500
4	0.66667	0.33333	0.59305	m_x,-m_x,-m_z	1.90500	-1.90500

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.33333	0.66667	0.20840	m_x,-m_x,m_z	2.19400	-2.19400
2	0.33333	0.66667	0.29160	m_x,-m_x,-m_z	2.19400	-2.19400
3	0.66667	0.33333	0.79160	m_x,-m_x,m_z	2.19400	-2.19400
4	0.66667	0.33333	0.70840	m_x,-m_x,-m_z	2.19400	-2.19400

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.83536	0.67072	0.15114	m_x,m_y,m_z	-2.02100	2.02100
2	0.32928	0.16464	0.34886	-m_y,-m_x,-m_z	-2.02100	2.02100
3	0.16464	0.32928	0.84886	m_x,m_y,m_z	-2.02100	2.02100
4	0.67072	0.83536	0.65114	-m_y,-m_x,-m_z	-2.02100	2.02100
5	0.67072	0.83536	0.84886	-m_y,-m_x,m_z	-2.02100	2.02100
6	0.16464	0.32928	0.65114	m_x,m_y,-m_z	-2.02100	2.02100
7	0.32928	0.16464	0.15114	-m_y,-m_x,m_z	-2.02100	2.02100
8	0.83536	0.67072	0.34886	m_x,m_y,-m_z	-2.02100	2.02100

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.83536	0.16464	0.15114	m_x,-m_x,m_z	-2.02100	2.02100
2	0.83536	0.16464	0.34886	m_x,-m_x,-m_z	-2.02100	2.02100
3	0.16464	0.83536	0.84886	m_x,-m_x,m_z	-2.02100	2.02100
4	0.16464	0.83536	0.65114	m_x,-m_x,-m_z	-2.02100	2.02100

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Co4:

Atom	x	y	z
1	0.33333	0.66667	0.92578
2	0.33333	0.66667	0.57422
3	0.66667	0.33333	0.07422
4	0.66667	0.33333	0.42578

Set of atoms in the unit cell related by symmetry with the atom Co3_1:

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

Set of atoms in the unit cell related by symmetry with the atom Co3_2:

Atom	x	y	z
1	0.50000	0.50000	0.00000
2	0.50000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Co1:

Atom	x	y	z
1	0.00000	0.00000	0.05608
2	0.00000	0.00000	0.44392
3	0.00000	0.00000	0.94392
4	0.00000	0.00000	0.55608

Set of atoms in the unit cell related by symmetry with the atom Co2:

Atom	x	y	z
1	0.33333	0.66667	0.09305
2	0.33333	0.66667	0.40695
3	0.66667	0.33333	0.90695
4	0.66667	0.33333	0.59305

Set of atoms in the unit cell related by symmetry with the atom Co6:

Atom	x	y	z
1	0.33333	0.66667	0.20840
2	0.33333	0.66667	0.29160
3	0.66667	0.33333	0.79160
4	0.66667	0.33333	0.70840

Set of atoms in the unit cell related by symmetry with the atom Co5_1:

Atom	x	y	z
1	0.83536	0.67072	0.15114
2	0.32928	0.16464	0.34886
3	0.16464	0.32928	0.84886
4	0.67072	0.83536	0.65114
5	0.67072	0.83536	0.84886
6	0.16464	0.32928	0.65114
7	0.32928	0.16464	0.15114
8	0.83536	0.67072	0.34886

Set of atoms in the unit cell related by symmetry with the atom Co5_2:

Atom	x	y	z
1	0.83536	0.16464	0.15114
2	0.83536	0.16464	0.34886
3	0.16464	0.83536	0.84886
4	0.16464	0.83536	0.65114

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

Atom	x	y	z
1	0.82510	0.65040	0.03663
2	0.34960	0.17490	0.46337
3	0.17490	0.34960	0.96337
4	0.65040	0.82510	0.53663
5	0.65040	0.82510	0.96337
6	0.17490	0.34960	0.53663
7	0.34960	0.17490	0.03663
8	0.82510	0.65040	0.46337

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

Atom	x	y	z
1	0.34960	0.17470	0.03663
2	0.82530	0.65040	0.46337
3	0.65040	0.82530	0.96337
4	0.17470	0.34960	0.53663
5	0.17470	0.34960	0.96337
6	0.65040	0.82530	0.53663
7	0.82530	0.65040	0.03663
8	0.34960	0.17470	0.46337

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.82530	0.17490	0.03663
2	0.82510	0.17470	0.46337
3	0.17470	0.82510	0.96337
4	0.17490	0.82530	0.53663

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

Atom	x	y	z
1	0.33333	0.66667	0.03495
2	0.33333	0.66667	0.46505
3	0.66667	0.33333	0.96505
4	0.66667	0.33333	0.53495

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

Atom	x	y	z
1	0.51080	0.02150	0.11088
2	0.97850	0.48920	0.38912
3	0.48920	0.97850	0.88912
4	0.02150	0.51080	0.61088
5	0.02150	0.51080	0.88912
6	0.48920	0.97850	0.61088
7	0.97850	0.48920	0.11088
8	0.51080	0.02150	0.38912

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

Atom	x	y	z
1	0.97850	0.48930	0.11088
2	0.51070	0.02150	0.38912
3	0.02150	0.51070	0.88912
4	0.48930	0.97850	0.61088
5	0.48930	0.97850	0.88912
6	0.02150	0.51070	0.61088
7	0.51070	0.02150	0.11088
8	0.97850	0.48930	0.38912

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.51070	0.48920	0.11088
2	0.51080	0.48930	0.38912
3	0.48930	0.51080	0.88912
4	0.48920	0.51070	0.61088

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

Atom	x	y	z
1	0.00000	0.00000	0.11353
2	0.00000	0.00000	0.38647
3	0.00000	0.00000	0.88647
4	0.00000	0.00000	0.61353

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

Atom	x	y	z
1	0.16320	0.32630	0.18000
2	0.67370	0.83680	0.32000
3	0.83680	0.67370	0.82000
4	0.32630	0.16320	0.68000
5	0.32630	0.16320	0.82000
6	0.83680	0.67370	0.68000
7	0.67370	0.83680	0.18000
8	0.16320	0.32630	0.32000

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

Atom	x	y	z
1	0.67370	0.83690	0.18000
2	0.16310	0.32630	0.32000
3	0.32630	0.16310	0.82000
4	0.83690	0.67370	0.68000
5	0.83690	0.67370	0.82000
6	0.32630	0.16310	0.68000
7	0.16310	0.32630	0.18000
8	0.67370	0.83690	0.32000

Set of atoms in the unit cell related by symmetry with the atom O5_3:

Atom	x	y	z
1	0.16310	0.83680	0.18000
2	0.16320	0.83690	0.32000
3	0.83690	0.16320	0.82000
4	0.83680	0.16310	0.68000

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

Atom	x	y	z
1	0.33333	0.66667	0.81920
2	0.33333	0.66667	0.68080
3	0.66667	0.33333	0.18080
4	0.66667	0.33333	0.31920

Set of atoms in the unit cell related by symmetry with the atom O7_1:

Atom	x	y	z
1	0.48320	0.96640	0.25000
2	0.03360	0.51680	0.25000
3	0.51680	0.03360	0.75000
4	0.96640	0.48320	0.75000

Set of atoms in the unit cell related by symmetry with the atom O7_2:

Atom	x	y	z
1	0.48320	0.51680	0.25000
2	0.51680	0.48320	0.75000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe7	Fe	0.33333	0.66667	0.74568	0.5	4	m_x,-m_x,m_z	-1.386	1.386	2.40
Fe4	Fe	0.33333	0.66667	0.92578	0.922	4	m_x,-m_x,m_z	-1.848	1.848	3.20
Fe3_1	Fe	0.50000	0.00000	0.00000	0.667	4	m_x,m_y,m_z	-1.674	1.674	2.90
Fe3_2	Fe	0.50000	0.50000	0.00000	0.667	2	m_x,-m_x,m_z	-1.674	1.674	2.90
Fe1	Fe	0.00000	0.00000	0.05608	0.861	4	m_x,-m_x,m_z	2.425	-2.425	4.20
Fe2	Fe	0.33333	0.66667	0.09305	0.889	4	m_x,-m_x,m_z	1.905	-1.905	3.30
Fe6	Fe	0.33333	0.66667	0.20840	0.983	4	m_x,-m_x,m_z	2.194	-2.194	3.80
Fe5_1	Fe	0.83536	0.67072	0.15114	0.921	8	m_x,m_y,m_z	-2.021	2.021	3.50
Fe5_2	Fe	0.83536	0.16464	0.15114	0.921	4	m_x,-m_x,m_z	-2.021	2.021	3.50

[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: