MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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

origin shift
0	a_p
0	b_p
0	c_p

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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	2	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	x+1/2,-y+3/4,-z,+1	{ 2₁₀₀ \| 1/2 3/4 0 }
3	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
4	x+1/2,-y+3/4,z+1/2,-1	{ m'₀₁₀ \| 1/2 3/4 1/2 }

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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
0	0	1	a
0	-1	0	b
1	0	0	c

origin shift
0	a
7/8	b
1/4	c

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	x,y,-z,-1	m'₀₀₁
4	x,-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.98900	0.03200	0.25000	2	m_x,m_y,0	7.76	3.17	0.0	8.38
Tb1_2	Tb	0.48900	0.21800	0.75000	2	m_x,m_y,0	-7.76	3.17	0.0	8.38
Tb1_3	Tb	0.01100	0.96800	0.75000	2	m_x,m_y,0	-7.76	-3.17	0.0	8.38
Tb1_4	Tb	0.51100	0.28200	0.25000	2	m_x,m_y,0	7.76	-3.17	0.0	8.38
Cr1_1	Cr	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	0.0	2.85	2.85
Cr1_2	Cr	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	0.0	0.0	-2.85	2.85

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.09600	0.23500	0.25000	2
O1_2	O	0.59600	0.01500	0.75000	2
O1_3	O	0.90400	0.76500	0.75000	2
O1_4	O	0.40400	0.48500	0.25000	2
O2_1	O	0.69700	0.15050	0.04900	4
O2_2	O	0.19700	0.09950	0.95100	4
O2_3	O	0.30300	0.84950	0.54900	4
O2_4	O	0.80300	0.40050	0.45100	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.98900	0.03200	0.25000	m_x,m_y,0	7.76000	3.17000	0.00000
2	0.48900	0.71800	0.75000	m_x,-m_y,0	7.76000	-3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48900	0.21800	0.75000	m_x,m_y,0	-7.76000	3.17000	0.00000
2	0.98900	0.53200	0.25000	m_x,-m_y,0	-7.76000	-3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01100	0.96800	0.75000	m_x,m_y,0	-7.76000	-3.17000	0.00000
2	0.51100	0.78200	0.25000	m_x,-m_y,0	-7.76000	3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.51100	0.28200	0.25000	m_x,m_y,0	7.76000	-3.17000	0.00000
2	0.01100	0.46800	0.75000	m_x,-m_y,0	7.76000	3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	2.85000
2	0.00000	0.75000	0.00000	m_x,-m_y,-m_z	-2.85000
3	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-2.85000
4	0.00000	0.75000	0.50000	m_x,-m_y,m_z	2.85000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	-2.85000
2	0.50000	0.50000	0.00000	m_x,-m_y,-m_z	2.85000
3	0.00000	0.25000	0.50000	m_x,m_y,-m_z	2.85000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	-2.85000

Atom	x	y	z
1	0.09600	0.23500	0.25000
2	0.59600	0.51500	0.75000

Atom	x	y	z
1	0.59600	0.01500	0.75000
2	0.09600	0.73500	0.25000

Atom	x	y	z
1	0.90400	0.76500	0.75000
2	0.40400	0.98500	0.25000

Atom	x	y	z
1	0.40400	0.48500	0.25000
2	0.90400	0.26500	0.75000

Atom	x	y	z
1	0.69700	0.15050	0.04900
2	0.19700	0.59950	0.95100
3	0.69700	0.15050	0.45100
4	0.19700	0.59950	0.54900

Atom	x	y	z
1	0.19700	0.09950	0.95100
2	0.69700	0.65050	0.04900
3	0.19700	0.09950	0.54900
4	0.69700	0.65050	0.45100

Atom	x	y	z
1	0.30300	0.84950	0.54900
2	0.80300	0.90050	0.45100
3	0.30300	0.84950	0.95100
4	0.80300	0.90050	0.04900

Atom	x	y	z
1	0.80300	0.40050	0.45100
2	0.30300	0.34950	0.54900
3	0.80300	0.40050	0.04900
4	0.30300	0.34950	0.95100

[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\|
Tb1_1	Tb	0.98900	0.03200	0.25000	2	m_x,m_y,0	7.76	3.17	0.0	8.38
Tb1_2	Tb	0.48900	0.21800	0.75000	2	m_x,m_y,0	-7.76	3.17	0.0	8.38
Tb1_3	Tb	0.01100	0.96800	0.75000	2	m_x,m_y,0	-7.76	-3.17	0.0	8.38
Tb1_4	Tb	0.51100	0.28200	0.25000	2	m_x,m_y,0	7.76	-3.17	0.0	8.38
Cr1_1	Cr	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	0.0	2.85	2.85
Cr1_2	Cr	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	0.0	0.0	-2.85	2.85

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.98900	0.03200	0.25000	m_x,m_y,0	7.76000	3.17000	0.00000
2	0.48900	0.71800	0.75000	m_x,-m_y,0	7.76000	-3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48900	0.21800	0.75000	m_x,m_y,0	-7.76000	3.17000	0.00000
2	0.98900	0.53200	0.25000	m_x,-m_y,0	-7.76000	-3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01100	0.96800	0.75000	m_x,m_y,0	-7.76000	-3.17000	0.00000
2	0.51100	0.78200	0.25000	m_x,-m_y,0	-7.76000	3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.51100	0.28200	0.25000	m_x,m_y,0	7.76000	-3.17000	0.00000
2	0.01100	0.46800	0.75000	m_x,-m_y,0	7.76000	3.17000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	2.85000
2	0.00000	0.75000	0.00000	m_x,-m_y,-m_z	-2.85000
3	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-2.85000
4	0.00000	0.75000	0.50000	m_x,-m_y,m_z	2.85000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	-2.85000
2	0.50000	0.50000	0.00000	m_x,-m_y,-m_z	2.85000
3	0.00000	0.25000	0.50000	m_x,m_y,-m_z	2.85000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	-2.85000

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mX2	2	2	special	primary	7
mGM2+	1	1		primary	5
mGM1-	1	1		secondary	2	no

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

TbCrO₃ (#2.62)

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

TbCrO3 (#2.62)

TbCrO₃ (#2.62)