MAGNDATA - Collection of Magnetic Structures

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.22463	0.17400	0.51141	4	m_x,m_y,m_z	-2.62(13)	1.2(3)	1.67(14)	2.59
Co2	Co	0.25000	0.50000	0.50000	2	m_x,m_y,m_z	-2.9(3)	2.3(3)	2.40(18)	3.42
Co3	Co	0.25000	0.50000	0.00000	2	m_x,m_y,m_z	1.78(19)	-0.24(1)	-3.04(18)	2.96

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
C1	C	0.09025	0.33480	0.99550	4
C2	C	0.06300	0.32040	0.15730	4
H2	H	0.02105	0.41870	0.20920	4
C3	C	0.01575	0.19590	0.22620	4
H3	H	0.03030	0.11010	0.15480	4
C4	C	0.14630	0.26090	0.22200	4
H4	H	0.20495	0.19490	0.14760	4
C5	C	0.08390	0.16680	0.32100	4
H5	H	0.04805	0.22090	0.41910	4
C6	C	0.13845	0.01070	0.33730	4
C7	C	0.17405	0.37860	0.28940	4
C8	C	0.40980	0.24510	0.31950	4
O1	O	0.19220	0.48460	0.21746	4
O2	O	0.17660	0.36904	0.41924	4
O3	O	0.04045	0.29570	0.92980	4
O4	O	0.16125	0.38850	0.93369	4
O5	O	0.12065	0.89960	0.29690	4
O6	O	0.20550	0.00493	0.39512	4
O7	O	0.37615	0.38173	0.36000	4
O8	O	0.36425	0.14708	0.35756	4
O9	O	0.24630	0.32601	0.64691	4
O10	O	0.09110	0.17450	0.66023	4
O11	O	0.14585	0.71210	0.02760	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22463	0.17400	0.51141	m_x,m_y,m_z	-2.62000	1.20000	1.67000
2	0.27537	0.82600	0.48859	m_x,m_y,m_z	-2.62000	1.20000	1.67000
(1/2,0,0)' + set click here to show and hide
3	0.72463	0.17400	0.51141	-m_x,-m_y,-m_z	2.62000	-1.20000	-1.67000
4	0.77537	0.82600	0.48859	-m_x,-m_y,-m_z	2.62000	-1.20000	-1.67000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.50000	0.50000	m_x,m_y,m_z	-2.90000	2.30000	2.40000
(1/2,0,0)' + set click here to show and hide
2	0.75000	0.50000	0.50000	-m_x,-m_y,-m_z	2.90000	-2.30000	-2.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.50000	0.00000	m_x,m_y,m_z	1.78000	-0.24000	-3.04000
(1/2,0,0)' + set click here to show and hide
2	0.75000	0.50000	0.00000	-m_x,-m_y,-m_z	-1.78000	0.24000	3.04000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom C1:

Atom	x	y	z
1	0.09025	0.33480	0.99550
2	0.40975	0.66520	0.00450
(1/2,0,0)' + set click here to show and hide
3	0.59025	0.33480	0.99550
4	0.90975	0.66520	0.00450

Set of atoms in the unit cell related by symmetry with the atom C2:

Atom	x	y	z
1	0.06300	0.32040	0.15730
2	0.43700	0.67960	0.84270
(1/2,0,0)' + set click here to show and hide
3	0.56300	0.32040	0.15730
4	0.93700	0.67960	0.84270

Set of atoms in the unit cell related by symmetry with the atom H2:

Atom	x	y	z
1	0.02105	0.41870	0.20920
2	0.47895	0.58130	0.79080
(1/2,0,0)' + set click here to show and hide
3	0.52105	0.41870	0.20920
4	0.97895	0.58130	0.79080

Set of atoms in the unit cell related by symmetry with the atom C3:

Atom	x	y	z
1	0.01575	0.19590	0.22620
2	0.48425	0.80410	0.77380
(1/2,0,0)' + set click here to show and hide
3	0.51575	0.19590	0.22620
4	0.98425	0.80410	0.77380

Set of atoms in the unit cell related by symmetry with the atom H3:

Atom	x	y	z
1	0.03030	0.11010	0.15480
2	0.46970	0.88990	0.84520
(1/2,0,0)' + set click here to show and hide
3	0.53030	0.11010	0.15480
4	0.96970	0.88990	0.84520

Set of atoms in the unit cell related by symmetry with the atom C4:

Atom	x	y	z
1	0.14630	0.26090	0.22200
2	0.35370	0.73910	0.77800
(1/2,0,0)' + set click here to show and hide
3	0.64630	0.26090	0.22200
4	0.85370	0.73910	0.77800

Set of atoms in the unit cell related by symmetry with the atom H4:

Atom	x	y	z
1	0.20495	0.19490	0.14760
2	0.29505	0.80510	0.85240
(1/2,0,0)' + set click here to show and hide
3	0.70495	0.19490	0.14760
4	0.79505	0.80510	0.85240

Set of atoms in the unit cell related by symmetry with the atom C5:

Atom	x	y	z
1	0.08390	0.16680	0.32100
2	0.41610	0.83320	0.67900
(1/2,0,0)' + set click here to show and hide
3	0.58390	0.16680	0.32100
4	0.91610	0.83320	0.67900

Set of atoms in the unit cell related by symmetry with the atom H5:

Atom	x	y	z
1	0.04805	0.22090	0.41910
2	0.45195	0.77910	0.58090
(1/2,0,0)' + set click here to show and hide
3	0.54805	0.22090	0.41910
4	0.95195	0.77910	0.58090

Set of atoms in the unit cell related by symmetry with the atom C6:

Atom	x	y	z
1	0.13845	0.01070	0.33730
2	0.36155	0.98930	0.66270
(1/2,0,0)' + set click here to show and hide
3	0.63845	0.01070	0.33730
4	0.86155	0.98930	0.66270

Set of atoms in the unit cell related by symmetry with the atom C7:

Atom	x	y	z
1	0.17405	0.37860	0.28940
2	0.32595	0.62140	0.71060
(1/2,0,0)' + set click here to show and hide
3	0.67405	0.37860	0.28940
4	0.82595	0.62140	0.71060

Set of atoms in the unit cell related by symmetry with the atom C8:

Atom	x	y	z
1	0.40980	0.24510	0.31950
2	0.09020	0.75490	0.68050
(1/2,0,0)' + set click here to show and hide
3	0.90980	0.24510	0.31950
4	0.59020	0.75490	0.68050

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

Atom	x	y	z
1	0.19220	0.48460	0.21746
2	0.30780	0.51540	0.78254
(1/2,0,0)' + set click here to show and hide
3	0.69220	0.48460	0.21746
4	0.80780	0.51540	0.78254

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

Atom	x	y	z
1	0.17660	0.36904	0.41924
2	0.32340	0.63096	0.58076
(1/2,0,0)' + set click here to show and hide
3	0.67660	0.36904	0.41924
4	0.82340	0.63096	0.58076

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

Atom	x	y	z
1	0.04045	0.29570	0.92980
2	0.45955	0.70430	0.07020
(1/2,0,0)' + set click here to show and hide
3	0.54045	0.29570	0.92980
4	0.95955	0.70430	0.07020

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

Atom	x	y	z
1	0.16125	0.38850	0.93369
2	0.33875	0.61150	0.06631
(1/2,0,0)' + set click here to show and hide
3	0.66125	0.38850	0.93369
4	0.83875	0.61150	0.06631

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.12065	0.89960	0.29690
2	0.37935	0.10040	0.70310
(1/2,0,0)' + set click here to show and hide
3	0.62065	0.89960	0.29690
4	0.87935	0.10040	0.70310

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

Atom	x	y	z
1	0.20550	0.00493	0.39512
2	0.29450	0.99507	0.60488
(1/2,0,0)' + set click here to show and hide
3	0.70550	0.00493	0.39512
4	0.79450	0.99507	0.60488

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.37615	0.38173	0.36000
2	0.12385	0.61827	0.64000
(1/2,0,0)' + set click here to show and hide
3	0.87615	0.38173	0.36000
4	0.62385	0.61827	0.64000

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.36425	0.14708	0.35756
2	0.13575	0.85292	0.64244
(1/2,0,0)' + set click here to show and hide
3	0.86425	0.14708	0.35756
4	0.63575	0.85292	0.64244

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.24630	0.32601	0.64691
2	0.25370	0.67399	0.35309
(1/2,0,0)' + set click here to show and hide
3	0.74630	0.32601	0.64691
4	0.75370	0.67399	0.35309

Set of atoms in the unit cell related by symmetry with the atom O10:

Atom	x	y	z
1	0.09110	0.17450	0.66023
2	0.40890	0.82550	0.33977
(1/2,0,0)' + set click here to show and hide
3	0.59110	0.17450	0.66023
4	0.90890	0.82550	0.33977

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.14585	0.71210	0.02760
2	0.35415	0.28790	0.97240
(1/2,0,0)' + set click here to show and hide
3	0.64585	0.71210	0.02760
4	0.85415	0.28790	0.97240

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.22463	0.17400	0.51141	4	m_x,m_y,m_z	-2.62(13)	1.2(3)	1.67(14)	2.59
Co2	Co	0.25000	0.50000	0.50000	2	m_x,m_y,m_z	-2.9(3)	2.3(3)	2.40(18)	3.42
Co3	Co	0.25000	0.50000	0.00000	2	m_x,m_y,m_z	1.78(19)	-0.24(1)	-3.04(18)	2.96

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

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

C₈H₁₀Co₂O₁₁ (#1.135)

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

C8H10Co2O11 (#1.135)

C₈H₁₀Co₂O₁₁ (#1.135)