Research/Sitter/MAGNDATA / 0.948_CaNi3P4O14.mcif

Ca₁Ni₃P₄O₁₄

MAGNDATA entry 0.948 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 16 K (−257 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c BNS 14.75
Point group	2/m
Parent space group	P 2₁/c No. 14
Spins	noncoplanar · net moment 1.08 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.3091 · b 7.5574 · c 9.3545 Å · α 90° · β 111.99° · γ 90°
Transition	16 K (−257 °C)
Measured at	1.5 K
Magnetic ions	Ni
Largest moment component	2.01 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 2₁/c →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0.5	0	0
Ni1	Ni	0.184	0.6205	0.0237	−0.13	0.18	1.92	1.9806
Ni2	Ni	0	0	0	0.16	0.18	2.01	1.964
P1	P	0.8794	0.7021	0.191
P2	P	0.6048	0.4333	0.2093
O1	O	0.3921	0.4778	0.1963
O2	O	0.0106	0.2098	0.1346
O3	O	0.9728	0.5781	0.1171
O4	O	0.6731	0.6247	0.1734
O5	O	0.6196	0.2999	0.0868
O6	O	0.2718	0.8832	0.1323
O7	O	0.8285	0.8801	0.1033

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

A. K. Bera et al. PHYSICAL REVIEW B (2016) · doi:10.1103/PhysRevB.93.184409

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.948_CaNi3P4O14.mcif from MAGNDATA · entry page

sha256 of this copy: fe0450b6e405fe86f775af1b1681eda6f6a01d7d8d27c40b71eaf10f4513f5df
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.948_CaNi3P4O14.mcif.

Ca1Ni3P4O14

Symmetry

Source

Original file

Ca₁Ni₃P₄O₁₄