MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
4	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,z,+1	m₁₀₀
4	x,-y,z,+1	m₀₁₀
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.40172	0.25000	0.25767	4	0,m_y,0	0.0	0.81(3)	0.0	0.81
Co2	Co	0.55509	0.50205	0.31399	8	m_x,m_y,m_z	-1.362(1)	-3.304(2)	1.594(2)	3.91

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.36091	0.25000	0.96225	4
K2	K	0.25395	0.25000	0.66356	4
Mo1	Mo	0.05974	0.25000	0.61421	4
Mo2	Mo	0.60608	0.25000	0.56580	4
Mo3	Mo	0.20163	0.25000	0.32692	4
O1	O	0.51170	0.25000	0.23014	4
O2	O	0.91110	0.25000	0.90268	4
O3	O	0.97959	0.25000	0.70028	4
O4	O	0.38722	0.51118	0.14286	8
O5	O	0.15512	0.01456	0.27677	8
O6	O	0.56721	0.00932	0.62578	8
O7	O	0.02798	0.25000	0.48213	4
O8	O	0.58443	0.25000	0.42432	4
O9	O	0.29397	0.25000	0.28221	4
O10	O	0.70082	0.25000	0.58552	4
O11	O	0.19817	0.25000	0.46601	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_y
1	0.40172	0.25000	0.25767	0,m_y,0	0.81000
2	0.09828	0.75000	0.75767	0,-m_y,0	-0.81000
3	0.90172	0.25000	0.24233	0,m_y,0	0.81000
4	0.59828	0.75000	0.74233	0,-m_y,0	-0.81000

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	0.55509	0.50205	0.31399	m_x,m_y,m_z	-1.36200	-3.30400	1.59400
2	0.94491	0.49795	0.81399	-m_x,-m_y,m_z	1.36200	3.30400	1.59400
3	0.94491	0.00205	0.81399	m_x,-m_y,-m_z	-1.36200	3.30400	-1.59400
4	0.55509	0.99795	0.31399	-m_x,m_y,-m_z	1.36200	-3.30400	-1.59400
5	0.05509	0.99795	0.18601	-m_x,m_y,m_z	1.36200	-3.30400	1.59400
6	0.44491	0.00205	0.68601	m_x,-m_y,m_z	-1.36200	3.30400	1.59400
7	0.44491	0.49795	0.68601	-m_x,-m_y,-m_z	1.36200	3.30400	-1.59400
8	0.05509	0.50205	0.18601	m_x,m_y,-m_z	-1.36200	-3.30400	-1.59400

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

Atom	x	y	z
1	0.36091	0.25000	0.96225
2	0.13909	0.75000	0.46225
3	0.86091	0.25000	0.53775
4	0.63909	0.75000	0.03775

Set of atoms in the unit cell related by symmetry with the atom K2:

Atom	x	y	z
1	0.25395	0.25000	0.66356
2	0.24605	0.75000	0.16356
3	0.75395	0.25000	0.83644
4	0.74605	0.75000	0.33644

Set of atoms in the unit cell related by symmetry with the atom Mo1:

Atom	x	y	z
1	0.05974	0.25000	0.61421
2	0.44026	0.75000	0.11421
3	0.55974	0.25000	0.88579
4	0.94026	0.75000	0.38579

Set of atoms in the unit cell related by symmetry with the atom Mo2:

Atom	x	y	z
1	0.60608	0.25000	0.56580
2	0.89392	0.75000	0.06580
3	0.10608	0.25000	0.93420
4	0.39392	0.75000	0.43420

Set of atoms in the unit cell related by symmetry with the atom Mo3:

Atom	x	y	z
1	0.20163	0.25000	0.32692
2	0.29837	0.75000	0.82692
3	0.70163	0.25000	0.17308
4	0.79837	0.75000	0.67308

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

Atom	x	y	z
1	0.51170	0.25000	0.23014
2	0.98830	0.75000	0.73014
3	0.01170	0.25000	0.26986
4	0.48830	0.75000	0.76986

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

Atom	x	y	z
1	0.91110	0.25000	0.90268
2	0.58890	0.75000	0.40268
3	0.41110	0.25000	0.59732
4	0.08890	0.75000	0.09732

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

Atom	x	y	z
1	0.97959	0.25000	0.70028
2	0.52041	0.75000	0.20028
3	0.47959	0.25000	0.79972
4	0.02041	0.75000	0.29972

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

Atom	x	y	z
1	0.38722	0.51118	0.14286
2	0.11278	0.48882	0.64286
3	0.11278	0.01118	0.64286
4	0.38722	0.98882	0.14286
5	0.88722	0.98882	0.35714
6	0.61278	0.01118	0.85714
7	0.61278	0.48882	0.85714
8	0.88722	0.51118	0.35714

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

Atom	x	y	z
1	0.15512	0.01456	0.27677
2	0.34488	0.98544	0.77677
3	0.34488	0.51456	0.77677
4	0.15512	0.48544	0.27677
5	0.65512	0.48544	0.22323
6	0.84488	0.51456	0.72323
7	0.84488	0.98544	0.72323
8	0.65512	0.01456	0.22323

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

Atom	x	y	z
1	0.56721	0.00932	0.62578
2	0.93279	0.99068	0.12578
3	0.93279	0.50932	0.12578
4	0.56721	0.49068	0.62578
5	0.06721	0.49068	0.87422
6	0.43279	0.50932	0.37422
7	0.43279	0.99068	0.37422
8	0.06721	0.00932	0.87422

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

Atom	x	y	z
1	0.02798	0.25000	0.48213
2	0.47202	0.75000	0.98213
3	0.52798	0.25000	0.01787
4	0.97202	0.75000	0.51787

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

Atom	x	y	z
1	0.58443	0.25000	0.42432
2	0.91557	0.75000	0.92432
3	0.08443	0.25000	0.07568
4	0.41557	0.75000	0.57568

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

Atom	x	y	z
1	0.29397	0.25000	0.28221
2	0.20603	0.75000	0.78221
3	0.79397	0.25000	0.21779
4	0.70603	0.75000	0.71779

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

Atom	x	y	z
1	0.70082	0.25000	0.58552
2	0.79918	0.75000	0.08552
3	0.20082	0.25000	0.91448
4	0.29918	0.75000	0.41448

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

Atom	x	y	z
1	0.19817	0.25000	0.46601
2	0.30183	0.75000	0.96601
3	0.69817	0.25000	0.03399
4	0.80183	0.75000	0.53399

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.40172	0.25000	0.25767	4	0,m_y,0	0.0	0.81(3)	0.0	0.81
Co2	Co	0.55509	0.50205	0.31399	8	m_x,m_y,m_z	-1.362(1)	-3.304(2)	1.594(2)	3.91

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	4

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

K₂Co₃(MoO₄)₃(OH)₂ (#0.1087)

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

K2Co3(MoO4)3(OH)2 (#0.1087)

K₂Co₃(MoO₄)₃(OH)₂ (#0.1087)