MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x-y,x,z+1/2,+1	{ 6⁺₀₀₁ \| 0 0 1/2 }
3	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
6	y,-x+y,z+1/2,+1	{ 6^-₀₀₁ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,x,z,+1	6⁺₀₀₁
3	-y,x-y,z,+1	3⁺₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x+y,-x,z,+1	3^-₀₀₁
6	y,-x+y,z,+1	6^-₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Co1_1	Co	0.77634	0.22867	0.53000	6	m_x,m_y,m_z	1.565	3.13	2.71
Co1_2	Co	0.10966	0.89533	0.53000	6	m_x,m_y,m_z	1.565	3.13	2.71
Co1_3	Co	0.55700	0.43800	0.03000	6	m_x,m_y,m_z	1.565	3.13	2.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.00000	0.00000	0.25000	2
Ba1_2	Ba	0.33334	0.66667	0.25000	2
Ba1_3	Ba	0.33334	0.66667	0.75000	2
Ba2	Ba	0.66667	0.00000	0.22110	6
Ba3	Ba	0.66667	0.00000	0.72100	6
Si1_1	Si	0.56166	0.11083	0.43100	6
Si1_2	Si	0.89500	0.77750	0.43100	6
Si1_3	Si	0.77166	0.55583	0.93100	6
O1_1	O	0.64741	0.20661	0.52270	6
O1_2	O	0.98073	0.87327	0.52270	6
O1_3	O	0.68593	0.46006	0.02270	6
O2_1	O	0.55296	0.00883	0.49040	6
O2_2	O	0.88630	0.67550	0.49040	6
O2_3	O	0.78036	0.65783	0.99040	6
O3_1	O	0.12524	0.44317	0.44700	6
O3_2	O	0.45856	0.10983	0.44700	6
O3_3	O	0.20810	0.22350	0.94700	6
O4_1	O	0.80516	0.26483	0.75130	6
O4_2	O	0.13850	0.93150	0.75130	6
O4_3	O	0.52816	0.40183	0.25130	6

[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
1	0.77634	0.22867	0.53000	m_x,m_y,m_z	1.56500	3.13000
2	0.54767	0.77634	0.03000	m_x-m_y,m_x,m_z	-1.56500	1.56500
3	0.77133	0.54767	0.53000	-m_y,m_x-m_y,m_z	-3.13000	-1.56500
4	0.22366	0.77133	0.03000	-m_x,-m_y,m_z	-1.56500	-3.13000
5	0.45233	0.22366	0.53000	-m_x+m_y,-m_x,m_z	1.56500	-1.56500
6	0.22867	0.45233	0.03000	m_y,-m_x+m_y,m_z	3.13000	1.56500

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
1	0.10966	0.89533	0.53000	m_x,m_y,m_z	1.56500	3.13000
2	0.21433	0.10966	0.03000	m_x-m_y,m_x,m_z	-1.56500	1.56500
3	0.10467	0.21433	0.53000	-m_y,m_x-m_y,m_z	-3.13000	-1.56500
4	0.89034	0.10467	0.03000	-m_x,-m_y,m_z	-1.56500	-3.13000
5	0.78567	0.89034	0.53000	-m_x+m_y,-m_x,m_z	1.56500	-1.56500
6	0.89533	0.78567	0.03000	m_y,-m_x+m_y,m_z	3.13000	1.56500

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.55700	0.43800	0.03000	m_x,m_y,m_z	1.56500	3.13000
2	0.11900	0.55700	0.53000	m_x-m_y,m_x,m_z	-1.56500	1.56500
3	0.56200	0.11900	0.03000	-m_y,m_x-m_y,m_z	-3.13000	-1.56500
4	0.44300	0.56200	0.53000	-m_x,-m_y,m_z	-1.56500	-3.13000
5	0.88100	0.44300	0.03000	-m_x+m_y,-m_x,m_z	1.56500	-1.56500
6	0.43800	0.88100	0.53000	m_y,-m_x+m_y,m_z	3.13000	1.56500

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

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 Ba1_2:

Atom	x	y	z
1	0.33334	0.66667	0.25000
2	0.66667	0.33334	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba1_3:

Atom	x	y	z
1	0.33334	0.66667	0.75000
2	0.66667	0.33334	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.66667	0.00000	0.22110
2	0.66667	0.66667	0.72110
3	0.00000	0.66667	0.22110
4	0.33333	0.00000	0.72110
5	0.33333	0.33333	0.22110
6	0.00000	0.33333	0.72110

Set of atoms in the unit cell related by symmetry with the atom Ba3:

Atom	x	y	z
1	0.66667	0.00000	0.72100
2	0.66667	0.66667	0.22100
3	0.00000	0.66667	0.72100
4	0.33333	0.00000	0.22100
5	0.33333	0.33333	0.72100
6	0.00000	0.33333	0.22100

Set of atoms in the unit cell related by symmetry with the atom Si1_1:

Atom	x	y	z
1	0.56166	0.11083	0.43100
2	0.45083	0.56166	0.93100
3	0.88917	0.45083	0.43100
4	0.43834	0.88917	0.93100
5	0.54917	0.43834	0.43100
6	0.11083	0.54917	0.93100

Set of atoms in the unit cell related by symmetry with the atom Si1_2:

Atom	x	y	z
1	0.89500	0.77750	0.43100
2	0.11750	0.89500	0.93100
3	0.22250	0.11750	0.43100
4	0.10500	0.22250	0.93100
5	0.88250	0.10500	0.43100
6	0.77750	0.88250	0.93100

Set of atoms in the unit cell related by symmetry with the atom Si1_3:

Atom	x	y	z
1	0.77166	0.55583	0.93100
2	0.21583	0.77166	0.43100
3	0.44417	0.21583	0.93100
4	0.22834	0.44417	0.43100
5	0.78417	0.22834	0.93100
6	0.55583	0.78417	0.43100

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

Atom	x	y	z
1	0.64741	0.20661	0.52270
2	0.44080	0.64741	0.02270
3	0.79339	0.44080	0.52270
4	0.35259	0.79339	0.02270
5	0.55920	0.35259	0.52270
6	0.20661	0.55920	0.02270

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

Atom	x	y	z
1	0.98073	0.87327	0.52270
2	0.10746	0.98073	0.02270
3	0.12673	0.10746	0.52270
4	0.01927	0.12673	0.02270
5	0.89254	0.01927	0.52270
6	0.87327	0.89254	0.02270

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

Atom	x	y	z
1	0.68593	0.46006	0.02270
2	0.22587	0.68593	0.52270
3	0.53994	0.22587	0.02270
4	0.31407	0.53994	0.52270
5	0.77413	0.31407	0.02270
6	0.46006	0.77413	0.52270

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

Atom	x	y	z
1	0.55296	0.00883	0.49040
2	0.54413	0.55296	0.99040
3	0.99117	0.54413	0.49040
4	0.44704	0.99117	0.99040
5	0.45587	0.44704	0.49040
6	0.00883	0.45587	0.99040

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

Atom	x	y	z
1	0.88630	0.67550	0.49040
2	0.21080	0.88630	0.99040
3	0.32450	0.21080	0.49040
4	0.11370	0.32450	0.99040
5	0.78920	0.11370	0.49040
6	0.67550	0.78920	0.99040

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.78036	0.65783	0.99040
2	0.12253	0.78036	0.49040
3	0.34217	0.12253	0.99040
4	0.21964	0.34217	0.49040
5	0.87747	0.21964	0.99040
6	0.65783	0.87747	0.49040

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

Atom	x	y	z
1	0.12524	0.44317	0.44700
2	0.68207	0.12524	0.94700
3	0.55683	0.68207	0.44700
4	0.87476	0.55683	0.94700
5	0.31793	0.87476	0.44700
6	0.44317	0.31793	0.94700

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

Atom	x	y	z
1	0.45856	0.10983	0.44700
2	0.34873	0.45856	0.94700
3	0.89017	0.34873	0.44700
4	0.54144	0.89017	0.94700
5	0.65127	0.54144	0.44700
6	0.10983	0.65127	0.94700

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

Atom	x	y	z
1	0.20810	0.22350	0.94700
2	0.98460	0.20810	0.44700
3	0.77650	0.98460	0.94700
4	0.79190	0.77650	0.44700
5	0.01540	0.79190	0.94700
6	0.22350	0.01540	0.44700

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

Atom	x	y	z
1	0.80516	0.26483	0.75130
2	0.54033	0.80516	0.25130
3	0.73517	0.54033	0.75130
4	0.19484	0.73517	0.25130
5	0.45967	0.19484	0.75130
6	0.26483	0.45967	0.25130

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

Atom	x	y	z
1	0.13850	0.93150	0.75130
2	0.20700	0.13850	0.25130
3	0.06850	0.20700	0.75130
4	0.86150	0.06850	0.25130
5	0.79300	0.86150	0.75130
6	0.93150	0.79300	0.25130

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

Atom	x	y	z
1	0.52816	0.40183	0.25130
2	0.12633	0.52816	0.75130
3	0.59817	0.12633	0.25130
4	0.47184	0.59817	0.75130
5	0.87367	0.47184	0.25130
6	0.40183	0.87367	0.75130

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Co1_1	Co	0.77634	0.22867	0.53000	6	m_x,m_y,m_z	1.565	3.13	2.71
Co1_2	Co	0.10966	0.89533	0.53000	6	m_x,m_y,m_z	1.565	3.13	2.71
Co1_3	Co	0.55700	0.43800	0.03000	6	m_x,m_y,m_z	1.565	3.13	2.71

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mK1	2	1	special	primary	6
mGM1	1	1		secondary	3	yes

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

BaCoSiO₄ (#1.0.49)

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

BaCoSiO4 (#1.0.49)

BaCoSiO₄ (#1.0.49)