Research/Sitter/MAGNDATA / 0.135_Ni3B7O13Br.mcif

Ni₃B₇O₁₃Br

MAGNDATA entry 0.135 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 30 K (−243 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P c′ a 2₁′ BNS 29.101
Point group	m′m2′
Parent space group	P c a 2₁ No. 29
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.516 · b 8.495 · c 12.034 Å · α 90° · β 90° · γ 90°
Transition	30 K (−243 °C)
Measured at	8 K
Magnetic ions	Ni
Largest moment component	3.51 μ_B
Method	NPD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in P c′ a 2₁′ →

Atom sites · 24 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0.744	0.249	0.73	3.51	0	0.6	3.5609
Ni2	Ni	0.988	0.475	0.501	0	1.31	0.2	1.3252
Ni3	Ni	0.985	0.024	0.502	0	−1.31	−0.5	1.4022
Br1	Br	0.773	0.25	0.5118
B1	B	0.494	0.483	0.745
B2	B	0.253	0.252	0.497
B3	B	0.994	0.995	0.745
B4	B	0.046	0.264	0.851
B5	B	0.753	0.593	0.672
B6	B	0.396	0.251	0.831
B7	B	0.758	0.909	0.672
O1	O	0.753	0.751	0.739
O2	O	0.956	0.325	0.785
O3	O	0.883	0.673	0.441
O4	O	0.531	0.173	0.78
O5	O	0.682	0.64	0.58
O6	O	0.834	0.027	0.737
O7	O	0.139	0.178	0.438
O8	O	0.659	0.474	0.733
O9	O	0.821	0.877	0.575
O10	O	0.434	0.413	0.849
O11	O	0.047	0.079	0.854
O12	O	0.914	0.557	0.657
O13	O	0.572	0.942	0.656

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

S.Y. Mao et al. Ferroelectrics (1993) · doi:10.1080/00150199308008529

Cite the original paper and MAGNDATA, not this mirror.

Mirror note

re-encoded from Mac OS Roman to UTF-8. Differs from the Bilbao original.

Original file

⬇ 0.135_Ni3B7O13Br.mcif from MAGNDATA · entry page

sha256 of this copy: 55ad31dc0f612c77a3211876167b41fd73c60dc565b886992e714c27a0e4aa4f
This copy was altered (see the mirror note above), so the original will hash differently.