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):

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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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
5	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
6	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/3,2/3,2/3) + set click here to show and hide
7	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
8	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
9	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
10	-x+y+1/3,y+2/3,z+1/6,+1	{ m₁₀₀ \| 1/3 2/3 1/6 }
11	-y+1/3,-x+2/3,z+1/6,+1	{ m₁₁₀ \| 1/3 2/3 1/6 }
12	x+1/3,x-y+2/3,z+1/6,+1	{ m₀₁₀ \| 1/3 2/3 1/6 }
(2/3,1/3,1/3) + set click here to show and hide
13	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
14	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
15	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
16	-x+y+2/3,y+1/3,z+5/6,+1	{ m₁₀₀ \| 2/3 1/3 5/6 }
17	-y+2/3,-x+1/3,z+5/6,+1	{ m₁₁₀ \| 2/3 1/3 5/6 }
18	x+2/3,x-y+1/3,z+5/6,+1	{ m₀₁₀ \| 2/3 1/3 5/6 }

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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):

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

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	1.	6	0,0,m_z	0.0	0.0	4.1(1)	4.10

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Bi1	Bi	0.00000	0.00000	0.22090	0.95	6
Ho1	Ho	0.00000	0.00000	0.22090	0.05	6
O1	O	0.88880	0.64660	0.43540	1.	18

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.10000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-4.10000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	4.10000
4	0.33333	0.66667	0.16667	0,0,-m_z	0.00000	0.00000	-4.10000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	4.10000
6	0.66667	0.33333	0.83333	0,0,-m_z	0.00000	0.00000	-4.10000

Atom	x	y	z
1	0.00000	0.00000	0.22090
2	0.00000	0.00000	0.72090
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.88757
4	0.33333	0.66667	0.38757
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.55423
6	0.66667	0.33333	0.05423

Atom	x	y	z
1	0.00000	0.00000	0.22090
2	0.00000	0.00000	0.72090
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.88757
4	0.33333	0.66667	0.38757
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.55423
6	0.66667	0.33333	0.05423

Atom	x	y	z
1	0.88880	0.64660	0.43540
2	0.35340	0.24220	0.43540
3	0.75780	0.11120	0.43540
4	0.75780	0.64660	0.93540
5	0.35340	0.11120	0.93540
6	0.88880	0.24220	0.93540
(1/3,2/3,2/3) + set click here to show and hide
7	0.22213	0.31327	0.10207
8	0.68673	0.90887	0.10207
9	0.09113	0.77787	0.10207
10	0.09113	0.31327	0.60207
11	0.68673	0.77787	0.60207
12	0.22213	0.90887	0.60207
(2/3,1/3,1/3) + set click here to show and hide
13	0.55547	0.97993	0.76873
14	0.02007	0.57553	0.76873
15	0.42447	0.44453	0.76873
16	0.42447	0.97993	0.26873
17	0.02007	0.44453	0.26873
18	0.55547	0.57553	0.26873

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	4.1(1)	4.10

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.10000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-4.10000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	4.10000
4	0.33333	0.66667	0.16667	0,0,-m_z	0.00000	0.00000	-4.10000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	4.10000
6	0.66667	0.33333	0.83333	0,0,-m_z	0.00000	0.00000	-4.10000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1	1	1	primary	1

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