MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

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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	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
3	y,z,x,+1	{ 3^-₁₁₁ \| 0 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

a_s	b_s	c_s
1	0	1	a
-1	1	1	b
0	-1	1	c

origin shift
0	a
0	b
0	c

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

N	(x,y,z)	Seitz notation
1	z,x,y,+1	3⁺₁₁₁
2	y,z,x,+1	3^-₁₁₁
3	x,y,z,+1	1

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1_1	Cu	0.88600	0.88600	0.88600	1	m_x,m_x,m_x	0.35	0.35	0.35	0.61
Cu1_2	Cu	0.61400	0.11400	0.38600	3	m_x,m_y,m_z	0.35	0.35	0.35	0.61
Cu2_1	Cu	0.13350	0.12110	0.87190	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61
Cu2_2	Cu	0.36650	0.87890	0.37190	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61
Cu2_3	Cu	0.86650	0.62110	0.62810	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61
Cu2_4	Cu	0.63350	0.37890	0.12810	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.01050	0.01050	0.01050	1
O1_2	O	0.48950	0.98950	0.51050	3
O2_1	O	0.76210	0.76210	0.76210	1
O2_2	O	0.73790	0.23790	0.26210	3
Se1_1	Se	0.45900	0.45900	0.45900	1
Se1_2	Se	0.04100	0.54100	0.95900	3
O3_1	O	0.26990	0.48340	0.47060	3
O3_2	O	0.23010	0.51660	0.97060	3
O3_3	O	0.73010	0.98340	0.02940	3
O3_4	O	0.76990	0.01660	0.52940	3
Se2_1	Se	0.21130	0.21130	0.21130	1
Se2_2	Se	0.28870	0.78870	0.71130	3
O4_1	O	0.27100	0.18920	0.03130	3
O4_2	O	0.22900	0.81080	0.53130	3
O4_3	O	0.72900	0.68920	0.46870	3
O4_4	O	0.77100	0.31080	0.96870	3

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.88600	0.88600	0.88600	m_x,m_x,m_x	0.35000	0.35000	0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.61400	0.11400	0.38600	m_x,m_y,m_z	0.35000	0.35000	0.35000
2	0.38600	0.61400	0.11400	m_z,m_x,m_y	0.35000	0.35000	0.35000
3	0.11400	0.38600	0.61400	m_y,m_z,m_x	0.35000	0.35000	0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.13350	0.12110	0.87190	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.87190	0.13350	0.12110	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.12110	0.87190	0.13350	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.36650	0.87890	0.37190	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.37190	0.36650	0.87890	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.87890	0.37190	0.36650	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.86650	0.62110	0.62810	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.62810	0.86650	0.62110	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.62110	0.62810	0.86650	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.63350	0.37890	0.12810	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.12810	0.63350	0.37890	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.37890	0.12810	0.63350	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

Atom	x	y	z
1	0.01050	0.01050	0.01050

Atom	x	y	z
1	0.48950	0.98950	0.51050
2	0.51050	0.48950	0.98950
3	0.98950	0.51050	0.48950

Atom	x	y	z
1	0.76210	0.76210	0.76210

Atom	x	y	z
1	0.73790	0.23790	0.26210
2	0.26210	0.73790	0.23790
3	0.23790	0.26210	0.73790

Atom	x	y	z
1	0.45900	0.45900	0.45900

Atom	x	y	z
1	0.04100	0.54100	0.95900
2	0.95900	0.04100	0.54100
3	0.54100	0.95900	0.04100

Atom	x	y	z
1	0.26990	0.48340	0.47060
2	0.47060	0.26990	0.48340
3	0.48340	0.47060	0.26990

Atom	x	y	z
1	0.23010	0.51660	0.97060
2	0.97060	0.23010	0.51660
3	0.51660	0.97060	0.23010

Atom	x	y	z
1	0.73010	0.98340	0.02940
2	0.02940	0.73010	0.98340
3	0.98340	0.02940	0.73010

Atom	x	y	z
1	0.76990	0.01660	0.52940
2	0.52940	0.76990	0.01660
3	0.01660	0.52940	0.76990

Atom	x	y	z
1	0.21130	0.21130	0.21130

Atom	x	y	z
1	0.28870	0.78870	0.71130
2	0.71130	0.28870	0.78870
3	0.78870	0.71130	0.28870

Atom	x	y	z
1	0.27100	0.18920	0.03130
2	0.03130	0.27100	0.18920
3	0.18920	0.03130	0.27100

Atom	x	y	z
1	0.22900	0.81080	0.53130
2	0.53130	0.22900	0.81080
3	0.81080	0.53130	0.22900

Atom	x	y	z
1	0.72900	0.68920	0.46870
2	0.46870	0.72900	0.68920
3	0.68920	0.46870	0.72900

Atom	x	y	z
1	0.77100	0.31080	0.96870
2	0.96870	0.77100	0.31080
3	0.31080	0.96870	0.77100

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1_1	Cu	0.88600	0.88600	0.88600	1	m_x,m_x,m_x	0.35	0.35	0.35	0.61
Cu1_2	Cu	0.61400	0.11400	0.38600	3	m_x,m_y,m_z	0.35	0.35	0.35	0.61
Cu2_1	Cu	0.13350	0.12110	0.87190	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61
Cu2_2	Cu	0.36650	0.87890	0.37190	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61
Cu2_3	Cu	0.86650	0.62110	0.62810	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61
Cu2_4	Cu	0.63350	0.37890	0.12810	3	m_x,m_y,m_z	-0.35	-0.35	-0.35	0.61

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.88600	0.88600	0.88600	m_x,m_x,m_x	0.35000	0.35000	0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.61400	0.11400	0.38600	m_x,m_y,m_z	0.35000	0.35000	0.35000
2	0.38600	0.61400	0.11400	m_z,m_x,m_y	0.35000	0.35000	0.35000
3	0.11400	0.38600	0.61400	m_y,m_z,m_x	0.35000	0.35000	0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.13350	0.12110	0.87190	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.87190	0.13350	0.12110	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.12110	0.87190	0.13350	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.36650	0.87890	0.37190	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.37190	0.36650	0.87890	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.87890	0.37190	0.36650	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.86650	0.62110	0.62810	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.62810	0.86650	0.62110	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.62110	0.62810	0.86650	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.63350	0.37890	0.12810	m_x,m_y,m_z	-0.35000	-0.35000	-0.35000
2	0.12810	0.63350	0.37890	m_z,m_x,m_y	-0.35000	-0.35000	-0.35000
3	0.37890	0.12810	0.63350	m_y,m_z,m_x	-0.35000	-0.35000	-0.35000

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

label	dim. full irrep	dim. small irrep	direction	action
mGM4	3	3	special	primary

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

Cu₂OSeO₃ (#0.35)

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

Cu2OSeO3 (#0.35)

Cu₂OSeO₃ (#0.35)