MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
4	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co01	Co	0.90375	0.06059	0.25459	4	m_x,m_y,m_z	0.0	-2.19(7)	0.0	2.19
Co02	Co	0.02737	0.10852	0.15734	4	m_x,m_y,m_z	0.0	2.13(5)	-1.64(8)	2.69

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O003	O	0.20710	0.81120	0.26201	4
O004	O	0.97860	0.34090	0.21692	4
H004	H	0.94300	0.44500	0.19760	4
O005	O	0.07420	0.72490	0.15413	4
O006	O	0.15090	0.19610	0.21724	4
O007	O	0.91420	0.03520	0.09590	4
O008	O	0.07400	0.35320	0.10006	4
O009	O	0.87540	0.84090	0.17276	4
C010	C	0.21350	0.05330	0.24850	4
C011	C	0.88020	0.25790	0.43990	4
H011	H	0.92090	0.40770	0.45310	4
H012	H	0.87900	0.14180	0.47410	4
C012	C	0.30230	0.19570	0.26640	4
H013	H	0.29250	0.35910	0.28810	4
H014	H	0.32100	0.25370	0.23030	4
C013	C	0.78580	0.37040	0.41620	4
H015	H	0.76880	0.48490	0.44670	4
H016	H	0.78770	0.48470	0.38190	4
C014	C	0.62490	0.28010	0.36810	4
H017	H	0.60930	0.42160	0.39380	4
H018	H	0.63270	0.36640	0.33130	4
C015	C	0.08610	0.59880	0.10660	4
C016	C	0.70510	0.97400	0.06680	4
H019	H	0.72300	0.13100	0.04620	4
H0110	H	0.69310	0.03600	0.10470	4
C017	C	0.54670	0.08320	0.35360	4
H0111	H	0.56370	0.93090	0.33120	4
H0112	H	0.53340	0.01270	0.39040	4
C018	C	0.61950	0.85670	0.02990	4
H0113	H	0.63140	0.79540	0.99190	4
H0114	H	0.60180	0.69930	0.05030	4
C019	C	0.46330	0.21630	0.31760	4
H0115	H	0.47700	0.27800	0.28020	4
H0116	H	0.45000	0.37650	0.33910	4
C020	C	0.37920	0.04200	0.30380	4
H021	H	0.39130	0.87960	0.28260	4
H022	H	0.36270	0.98560	0.34080	4
C021	C	0.86310	0.89090	0.11820	4
C022	C	0.54260	0.05740	0.01840	4
H023	H	0.53050	0.11820	0.05640	4
H024	H	0.56040	0.21520	0.99810	4
C023	C	0.71420	0.15730	0.39820	4
H025	H	0.70630	0.05750	0.43340	4
H026	H	0.73380	0.02930	0.37110	4
C024	C	0.78180	0.77320	0.07840	4
H027	H	0.76310	0.61110	0.09690	4
H028	H	0.79690	0.72020	0.04080	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 Co01:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.90375	0.06059	0.25459	m_x,m_y,m_z	-2.19000
2	0.09625	0.93941	0.74541	m_x,m_y,m_z	-2.19000
3	0.09625	0.56059	0.24541	m_x,-m_y,m_z	2.19000
4	0.90375	0.43941	0.75459	m_x,-m_y,m_z	2.19000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co02:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.02737	0.10852	0.15734	m_x,m_y,m_z	2.13000	-1.64000
2	0.97263	0.89148	0.84266	m_x,m_y,m_z	2.13000	-1.64000
3	0.97263	0.60852	0.34266	m_x,-m_y,m_z	-2.13000	-1.64000
4	0.02737	0.39148	0.65734	m_x,-m_y,m_z	-2.13000	-1.64000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O003:

Atom	x	y	z
1	0.20710	0.81120	0.26201
2	0.79290	0.18880	0.73799
3	0.79290	0.31120	0.23799
4	0.20710	0.68880	0.76201

Set of atoms in the unit cell related by symmetry with the atom O004:

Atom	x	y	z
1	0.97860	0.34090	0.21692
2	0.02140	0.65910	0.78308
3	0.02140	0.84090	0.28308
4	0.97860	0.15910	0.71692

Set of atoms in the unit cell related by symmetry with the atom H004:

Atom	x	y	z
1	0.94300	0.44500	0.19760
2	0.05700	0.55500	0.80240
3	0.05700	0.94500	0.30240
4	0.94300	0.05500	0.69760

Set of atoms in the unit cell related by symmetry with the atom O005:

Atom	x	y	z
1	0.07420	0.72490	0.15413
2	0.92580	0.27510	0.84587
3	0.92580	0.22490	0.34587
4	0.07420	0.77510	0.65413

Set of atoms in the unit cell related by symmetry with the atom O006:

Atom	x	y	z
1	0.15090	0.19610	0.21724
2	0.84910	0.80390	0.78276
3	0.84910	0.69610	0.28276
4	0.15090	0.30390	0.71724

Set of atoms in the unit cell related by symmetry with the atom O007:

Atom	x	y	z
1	0.91420	0.03520	0.09590
2	0.08580	0.96480	0.90410
3	0.08580	0.53520	0.40410
4	0.91420	0.46480	0.59590

Set of atoms in the unit cell related by symmetry with the atom O008:

Atom	x	y	z
1	0.07400	0.35320	0.10006
2	0.92600	0.64680	0.89994
3	0.92600	0.85320	0.39994
4	0.07400	0.14680	0.60006

Set of atoms in the unit cell related by symmetry with the atom O009:

Atom	x	y	z
1	0.87540	0.84090	0.17276
2	0.12460	0.15910	0.82724
3	0.12460	0.34090	0.32724
4	0.87540	0.65910	0.67276

Set of atoms in the unit cell related by symmetry with the atom C010:

Atom	x	y	z
1	0.21350	0.05330	0.24850
2	0.78650	0.94670	0.75150
3	0.78650	0.55330	0.25150
4	0.21350	0.44670	0.74850

Set of atoms in the unit cell related by symmetry with the atom C011:

Atom	x	y	z
1	0.88020	0.25790	0.43990
2	0.11980	0.74210	0.56010
3	0.11980	0.75790	0.06010
4	0.88020	0.24210	0.93990

Set of atoms in the unit cell related by symmetry with the atom H011:

Atom	x	y	z
1	0.92090	0.40770	0.45310
2	0.07910	0.59230	0.54690
3	0.07910	0.90770	0.04690
4	0.92090	0.09230	0.95310

Set of atoms in the unit cell related by symmetry with the atom H012:

Atom	x	y	z
1	0.87900	0.14180	0.47410
2	0.12100	0.85820	0.52590
3	0.12100	0.64180	0.02590
4	0.87900	0.35820	0.97410

Set of atoms in the unit cell related by symmetry with the atom C012:

Atom	x	y	z
1	0.30230	0.19570	0.26640
2	0.69770	0.80430	0.73360
3	0.69770	0.69570	0.23360
4	0.30230	0.30430	0.76640

Set of atoms in the unit cell related by symmetry with the atom H013:

Atom	x	y	z
1	0.29250	0.35910	0.28810
2	0.70750	0.64090	0.71190
3	0.70750	0.85910	0.21190
4	0.29250	0.14090	0.78810

Set of atoms in the unit cell related by symmetry with the atom H014:

Atom	x	y	z
1	0.32100	0.25370	0.23030
2	0.67900	0.74630	0.76970
3	0.67900	0.75370	0.26970
4	0.32100	0.24630	0.73030

Set of atoms in the unit cell related by symmetry with the atom C013:

Atom	x	y	z
1	0.78580	0.37040	0.41620
2	0.21420	0.62960	0.58380
3	0.21420	0.87040	0.08380
4	0.78580	0.12960	0.91620

Set of atoms in the unit cell related by symmetry with the atom H015:

Atom	x	y	z
1	0.76880	0.48490	0.44670
2	0.23120	0.51510	0.55330
3	0.23120	0.98490	0.05330
4	0.76880	0.01510	0.94670

Set of atoms in the unit cell related by symmetry with the atom H016:

Atom	x	y	z
1	0.78770	0.48470	0.38190
2	0.21230	0.51530	0.61810
3	0.21230	0.98470	0.11810
4	0.78770	0.01530	0.88190

Set of atoms in the unit cell related by symmetry with the atom C014:

Atom	x	y	z
1	0.62490	0.28010	0.36810
2	0.37510	0.71990	0.63190
3	0.37510	0.78010	0.13190
4	0.62490	0.21990	0.86810

Set of atoms in the unit cell related by symmetry with the atom H017:

Atom	x	y	z
1	0.60930	0.42160	0.39380
2	0.39070	0.57840	0.60620
3	0.39070	0.92160	0.10620
4	0.60930	0.07840	0.89380

Set of atoms in the unit cell related by symmetry with the atom H018:

Atom	x	y	z
1	0.63270	0.36640	0.33130
2	0.36730	0.63360	0.66870
3	0.36730	0.86640	0.16870
4	0.63270	0.13360	0.83130

Set of atoms in the unit cell related by symmetry with the atom C015:

Atom	x	y	z
1	0.08610	0.59880	0.10660
2	0.91390	0.40120	0.89340
3	0.91390	0.09880	0.39340
4	0.08610	0.90120	0.60660

Set of atoms in the unit cell related by symmetry with the atom C016:

Atom	x	y	z
1	0.70510	0.97400	0.06680
2	0.29490	0.02600	0.93320
3	0.29490	0.47400	0.43320
4	0.70510	0.52600	0.56680

Set of atoms in the unit cell related by symmetry with the atom H019:

Atom	x	y	z
1	0.72300	0.13100	0.04620
2	0.27700	0.86900	0.95380
3	0.27700	0.63100	0.45380
4	0.72300	0.36900	0.54620

Set of atoms in the unit cell related by symmetry with the atom H0110:

Atom	x	y	z
1	0.69310	0.03600	0.10470
2	0.30690	0.96400	0.89530
3	0.30690	0.53600	0.39530
4	0.69310	0.46400	0.60470

Set of atoms in the unit cell related by symmetry with the atom C017:

Atom	x	y	z
1	0.54670	0.08320	0.35360
2	0.45330	0.91680	0.64640
3	0.45330	0.58320	0.14640
4	0.54670	0.41680	0.85360

Set of atoms in the unit cell related by symmetry with the atom H0111:

Atom	x	y	z
1	0.56370	0.93090	0.33120
2	0.43630	0.06910	0.66880
3	0.43630	0.43090	0.16880
4	0.56370	0.56910	0.83120

Set of atoms in the unit cell related by symmetry with the atom H0112:

Atom	x	y	z
1	0.53340	0.01270	0.39040
2	0.46660	0.98730	0.60960
3	0.46660	0.51270	0.10960
4	0.53340	0.48730	0.89040

Set of atoms in the unit cell related by symmetry with the atom C018:

Atom	x	y	z
1	0.61950	0.85670	0.02990
2	0.38050	0.14330	0.97010
3	0.38050	0.35670	0.47010
4	0.61950	0.64330	0.52990

Set of atoms in the unit cell related by symmetry with the atom H0113:

Atom	x	y	z
1	0.63140	0.79540	0.99190
2	0.36860	0.20460	0.00810
3	0.36860	0.29540	0.50810
4	0.63140	0.70460	0.49190

Set of atoms in the unit cell related by symmetry with the atom H0114:

Atom	x	y	z
1	0.60180	0.69930	0.05030
2	0.39820	0.30070	0.94970
3	0.39820	0.19930	0.44970
4	0.60180	0.80070	0.55030

Set of atoms in the unit cell related by symmetry with the atom C019:

Atom	x	y	z
1	0.46330	0.21630	0.31760
2	0.53670	0.78370	0.68240
3	0.53670	0.71630	0.18240
4	0.46330	0.28370	0.81760

Set of atoms in the unit cell related by symmetry with the atom H0115:

Atom	x	y	z
1	0.47700	0.27800	0.28020
2	0.52300	0.72200	0.71980
3	0.52300	0.77800	0.21980
4	0.47700	0.22200	0.78020

Set of atoms in the unit cell related by symmetry with the atom H0116:

Atom	x	y	z
1	0.45000	0.37650	0.33910
2	0.55000	0.62350	0.66090
3	0.55000	0.87650	0.16090
4	0.45000	0.12350	0.83910

Set of atoms in the unit cell related by symmetry with the atom C020:

Atom	x	y	z
1	0.37920	0.04200	0.30380
2	0.62080	0.95800	0.69620
3	0.62080	0.54200	0.19620
4	0.37920	0.45800	0.80380

Set of atoms in the unit cell related by symmetry with the atom H021:

Atom	x	y	z
1	0.39130	0.87960	0.28260
2	0.60870	0.12040	0.71740
3	0.60870	0.37960	0.21740
4	0.39130	0.62040	0.78260

Set of atoms in the unit cell related by symmetry with the atom H022:

Atom	x	y	z
1	0.36270	0.98560	0.34080
2	0.63730	0.01440	0.65920
3	0.63730	0.48560	0.15920
4	0.36270	0.51440	0.84080

Set of atoms in the unit cell related by symmetry with the atom C021:

Atom	x	y	z
1	0.86310	0.89090	0.11820
2	0.13690	0.10910	0.88180
3	0.13690	0.39090	0.38180
4	0.86310	0.60910	0.61820

Set of atoms in the unit cell related by symmetry with the atom C022:

Atom	x	y	z
1	0.54260	0.05740	0.01840
2	0.45740	0.94260	0.98160
3	0.45740	0.55740	0.48160
4	0.54260	0.44260	0.51840

Set of atoms in the unit cell related by symmetry with the atom H023:

Atom	x	y	z
1	0.53050	0.11820	0.05640
2	0.46950	0.88180	0.94360
3	0.46950	0.61820	0.44360
4	0.53050	0.38180	0.55640

Set of atoms in the unit cell related by symmetry with the atom H024:

Atom	x	y	z
1	0.56040	0.21520	0.99810
2	0.43960	0.78480	0.00190
3	0.43960	0.71520	0.50190
4	0.56040	0.28480	0.49810

Set of atoms in the unit cell related by symmetry with the atom C023:

Atom	x	y	z
1	0.71420	0.15730	0.39820
2	0.28580	0.84270	0.60180
3	0.28580	0.65730	0.10180
4	0.71420	0.34270	0.89820

Set of atoms in the unit cell related by symmetry with the atom H025:

Atom	x	y	z
1	0.70630	0.05750	0.43340
2	0.29370	0.94250	0.56660
3	0.29370	0.55750	0.06660
4	0.70630	0.44250	0.93340

Set of atoms in the unit cell related by symmetry with the atom H026:

Atom	x	y	z
1	0.73380	0.02930	0.37110
2	0.26620	0.97070	0.62890
3	0.26620	0.52930	0.12890
4	0.73380	0.47070	0.87110

Set of atoms in the unit cell related by symmetry with the atom C024:

Atom	x	y	z
1	0.78180	0.77320	0.07840
2	0.21820	0.22680	0.92160
3	0.21820	0.27320	0.42160
4	0.78180	0.72680	0.57840

Set of atoms in the unit cell related by symmetry with the atom H027:

Atom	x	y	z
1	0.76310	0.61110	0.09690
2	0.23690	0.38890	0.90310
3	0.23690	0.11110	0.40310
4	0.76310	0.88890	0.59690

Set of atoms in the unit cell related by symmetry with the atom H028:

Atom	x	y	z
1	0.79690	0.72020	0.04080
2	0.20310	0.27980	0.95920
3	0.20310	0.22020	0.45920
4	0.79690	0.77980	0.54080

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co01	Co	0.90375	0.06059	0.25459	4	m_x,m_y,m_z	0.0	-2.19(7)	0.0	2.19
Co02	Co	0.02737	0.10852	0.15734	4	m_x,m_y,m_z	0.0	2.13(5)	-1.64(8)	2.69

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

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

Co₄(OH)₂(C₁₀H₁₆O₄)₃ (#0.69)

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

Co4(OH)2(C10H16O4)3 (#0.69)

Co₄(OH)₂(C₁₀H₁₆O₄)₃ (#0.69)