MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
3	-x+3/4,-y,z+1/2,-1	{ 2'₀₀₁ \| 3/4 0 1/2 }
4	-x+1/4,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/4 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,-y,z,-1	2'₀₀₁
4	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.05475	0.25000	0.21130	4	m_x,m_y,m_z	-0.60(1)	-0.2(1)	1.15(4)	1.31
Co1_2	Co	0.94525	0.75000	0.78870	4	m_x,m_y,m_z	-0.60(1)	-0.2(1)	1.15(4)	1.31
Co2_1	Co	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	2.09(3)	1.46(1)	1.53(1)	2.97
Co2_2	Co	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	-2.09(3)	1.46(1)	1.53(1)	2.97

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1_1	Na	0.12510	0.25000	0.86810	4
Na1_2	Na	0.87490	0.75000	0.13190	4
Se1_1	Se	0.16465	0.25000	0.22510	4
Se1_2	Se	0.83535	0.75000	0.77490	4
Se2_1	Se	0.48735	0.25000	0.88180	4
Se2_2	Se	0.51265	0.75000	0.11820	4
O1_1	O	0.05095	0.25000	0.46280	4
O1_2	O	0.94905	0.75000	0.53720	4
H1_1	H	0.07850	0.25000	0.52900	4
H1_2	H	0.92150	0.75000	0.47100	4
O2_1	O	0.19560	0.25000	0.04310	4
O2_2	O	0.80440	0.75000	0.95690	4
O3_1	O	0.04495	0.25000	0.96770	4
O3_2	O	0.95505	0.75000	0.03230	4
O4_1	O	0.49270	0.03020	0.75300	4
O4_2	O	0.75730	0.96980	0.25300	4
O4_3	O	0.50730	0.53020	0.24700	4
O4_4	O	0.74270	0.46980	0.74700	4
O5_1	O	0.12280	0.04130	0.19550	4
O5_2	O	0.12720	0.95870	0.69550	4
O5_3	O	0.87720	0.54130	0.80450	4
O5_4	O	0.37280	0.45870	0.30450	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 Co1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.05475	0.25000	0.21130	m_x,m_y,m_z	-0.60000	-0.20000	1.15000
2	0.55475	0.25000	0.21130	-m_x,m_y,-m_z	0.60000	-0.20000	-1.15000
3	0.69525	0.75000	0.71130	m_x,m_y,-m_z	-0.60000	-0.20000	-1.15000
4	0.19525	0.75000	0.71130	-m_x,m_y,m_z	0.60000	-0.20000	1.15000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.94525	0.75000	0.78870	m_x,m_y,m_z	-0.60000	-0.20000	1.15000
2	0.44525	0.75000	0.78870	-m_x,m_y,-m_z	0.60000	-0.20000	-1.15000
3	0.80475	0.25000	0.28870	m_x,m_y,-m_z	-0.60000	-0.20000	-1.15000
4	0.30475	0.25000	0.28870	-m_x,m_y,m_z	0.60000	-0.20000	1.15000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	2.09000	1.46000	1.53000
2	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-2.09000	1.46000	-1.53000
3	0.75000	0.00000	0.00000	m_x,m_y,-m_z	2.09000	1.46000	-1.53000
4	0.25000	0.50000	0.00000	-m_x,m_y,m_z	-2.09000	1.46000	1.53000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_2:

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	-2.09000	1.46000	1.53000
2	0.75000	0.50000	0.00000	-m_x,m_y,-m_z	2.09000	1.46000	-1.53000
3	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-2.09000	1.46000	-1.53000
4	0.00000	0.50000	0.50000	-m_x,m_y,m_z	2.09000	1.46000	1.53000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.12510	0.25000	0.86810
2	0.62510	0.25000	0.86810
3	0.62490	0.75000	0.36810
4	0.12490	0.75000	0.36810

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

Atom	x	y	z
1	0.87490	0.75000	0.13190
2	0.37490	0.75000	0.13190
3	0.87510	0.25000	0.63190
4	0.37510	0.25000	0.63190

Set of atoms in the unit cell related by symmetry with the atom Se1_1:

Atom	x	y	z
1	0.16465	0.25000	0.22510
2	0.66465	0.25000	0.22510
3	0.58535	0.75000	0.72510
4	0.08535	0.75000	0.72510

Set of atoms in the unit cell related by symmetry with the atom Se1_2:

Atom	x	y	z
1	0.83535	0.75000	0.77490
2	0.33535	0.75000	0.77490
3	0.91465	0.25000	0.27490
4	0.41465	0.25000	0.27490

Set of atoms in the unit cell related by symmetry with the atom Se2_1:

Atom	x	y	z
1	0.48735	0.25000	0.88180
2	0.98735	0.25000	0.88180
3	0.26265	0.75000	0.38180
4	0.76265	0.75000	0.38180

Set of atoms in the unit cell related by symmetry with the atom Se2_2:

Atom	x	y	z
1	0.51265	0.75000	0.11820
2	0.01265	0.75000	0.11820
3	0.23735	0.25000	0.61820
4	0.73735	0.25000	0.61820

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

Atom	x	y	z
1	0.05095	0.25000	0.46280
2	0.55095	0.25000	0.46280
3	0.69905	0.75000	0.96280
4	0.19905	0.75000	0.96280

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

Atom	x	y	z
1	0.94905	0.75000	0.53720
2	0.44905	0.75000	0.53720
3	0.80095	0.25000	0.03720
4	0.30095	0.25000	0.03720

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

Atom	x	y	z
1	0.07850	0.25000	0.52900
2	0.57850	0.25000	0.52900
3	0.67150	0.75000	0.02900
4	0.17150	0.75000	0.02900

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

Atom	x	y	z
1	0.92150	0.75000	0.47100
2	0.42150	0.75000	0.47100
3	0.82850	0.25000	0.97100
4	0.32850	0.25000	0.97100

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

Atom	x	y	z
1	0.19560	0.25000	0.04310
2	0.69560	0.25000	0.04310
3	0.55440	0.75000	0.54310
4	0.05440	0.75000	0.54310

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

Atom	x	y	z
1	0.80440	0.75000	0.95690
2	0.30440	0.75000	0.95690
3	0.94560	0.25000	0.45690
4	0.44560	0.25000	0.45690

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

Atom	x	y	z
1	0.04495	0.25000	0.96770
2	0.54495	0.25000	0.96770
3	0.70505	0.75000	0.46770
4	0.20505	0.75000	0.46770

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

Atom	x	y	z
1	0.95505	0.75000	0.03230
2	0.45505	0.75000	0.03230
3	0.79495	0.25000	0.53230
4	0.29495	0.25000	0.53230

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

Atom	x	y	z
1	0.49270	0.03020	0.75300
2	0.99270	0.46980	0.75300
3	0.25730	0.96980	0.25300
4	0.75730	0.53020	0.25300

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

Atom	x	y	z
1	0.75730	0.96980	0.25300
2	0.25730	0.53020	0.25300
3	0.99270	0.03020	0.75300
4	0.49270	0.46980	0.75300

Set of atoms in the unit cell related by symmetry with the atom O4_3:

Atom	x	y	z
1	0.50730	0.53020	0.24700
2	0.00730	0.96980	0.24700
3	0.24270	0.46980	0.74700
4	0.74270	0.03020	0.74700

Set of atoms in the unit cell related by symmetry with the atom O4_4:

Atom	x	y	z
1	0.74270	0.46980	0.74700
2	0.24270	0.03020	0.74700
3	0.00730	0.53020	0.24700
4	0.50730	0.96980	0.24700

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

Atom	x	y	z
1	0.12280	0.04130	0.19550
2	0.62280	0.45870	0.19550
3	0.62720	0.95870	0.69550
4	0.12720	0.54130	0.69550

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

Atom	x	y	z
1	0.12720	0.95870	0.69550
2	0.62720	0.54130	0.69550
3	0.62280	0.04130	0.19550
4	0.12280	0.45870	0.19550

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

Atom	x	y	z
1	0.87720	0.54130	0.80450
2	0.37720	0.95870	0.80450
3	0.87280	0.45870	0.30450
4	0.37280	0.04130	0.30450

Set of atoms in the unit cell related by symmetry with the atom O5_4:

Atom	x	y	z
1	0.37280	0.45870	0.30450
2	0.87280	0.04130	0.30450
3	0.37720	0.54130	0.80450
4	0.87720	0.95870	0.80450

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.05475	0.25000	0.21130	4	m_x,m_y,m_z	-0.60(1)	-0.2(1)	1.15(4)	1.31
Co1_2	Co	0.94525	0.75000	0.78870	4	m_x,m_y,m_z	-0.60(1)	-0.2(1)	1.15(4)	1.31
Co2_1	Co	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	2.09(3)	1.46(1)	1.53(1)	2.97
Co2_2	Co	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	-2.09(3)	1.46(1)	1.53(1)	2.97

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM4+	1	1		primary	4
mGM3-	1	1		secondary	1	no
mX2	2	2	special	primary	7

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

NaCo₂(SeO₃)₂(OH) (#2.91)

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

NaCo2(SeO3)2(OH) (#2.91)

NaCo₂(SeO₃)₂(OH) (#2.91)