01-071-1179 Nov 20, 2021 5:22 PM (ma)

Status Primary QM: Star Pressure/Temperature: Ambient Chemical Formula: Ni O

Empirical Formula: Ni O Weight %: Ni78.58 O21.42 Atomic %: Ni50.00 O50.00 ANX: AX
Compound Name: Nickel Oxide Mineral Name: Bunsenite

Radiation: CuKá : 1.5406Å d-Spacing: Calculated Intensity: Calculated I/Ic: 5.05

SYS: Cubic SPGR: Fm-3m (225)

Author's Cell [ AuthCell a: 4.178(1)ŠAuthCell Vol: 72.93ų AuthCell Z: 4.00 AuthCell MolVol: 18.23 ]
Density [ Dcalc: 6.803g/cm³ Dstruc: 6.8g/cm³ ] SS/FOM: F(10) = 999.9(0.0003, 10)
Temp: 298.000K (Ambient temperature assigned by ICDD editor) R-factor: 0.016

Space Group: Fm-3m (225) Molecular Weight: 74.70

Crystal Data [ XtlCell a: 4.178Å XtlCell b: 4.178Å XtlCell c: 4.178Å XtlCell : 90.00° XtlCell : 90.00°
XtlCell : 90.00° XtlCell Vol: 72.93ų XtlCell Z: 4.00 ] Crystal Data Axial Ratio [ a/b: 1.000 c/b: 1.000 ]
Reduced Cell [ RedCell a: 2.954Å RedCell b: 2.954Å RedCell c: 2.954Å RedCell : 60.00°
RedCell : 60.00° RedCell : 60.00° RedCell Vol: 18.23ų ]

Crystal (Symmetry Allowed): Centrosymmetric

Pearson: cF8.00 Prototype Structure: Na Cl Prototype Structure (Alpha Order): Cl Na

ICSD Pattern, Inorganic, Metals & Alloys, Common Phase, Alternate Pattern, Forensic, Mineral Related (Mineral ,
Subfile(s): Natural)

Entry Date: 07/27/2010 Last Modification Date: 01/17/2013 Cross-Ref PDF #'s: 00-004-0835 (Alternate)

References:
Type DOI Reference
Primary Reference Calculated from ICSD using POWD-12++ (2004).

Additional Reference Sasaki, S., Fujino, K., Takeuchi, Y. Golden Book of Phase Transitions, Wroclaw 1, 1 (2002).
"X-ray determination of electron-density distributions in oxides, Mg O, Mn O, Co O, and Ni O, and atomic scattering
Structure factors of their constituent atoms". Sasaki, S., Fujino, K., Takeuchi, Y. Proc. Jpn. Acad. 55, 43 (1979).

ANX: AX. Analysis: Ni1 O1. Formula from original source: Ni O. ICSD Collection Code: 9866. Calculated
Database Comments: Pattern Original Remarks: Stable above 523 K (2nd ref., Tomszewski), below R3-m. Wyckoff Sequence: b
a(FM3-M). Unit Cell Data Source: Single Crystal.

d-Spacings (10) - 01-071-1179 (Fixed Slit Intensity) - Cu K1 1.54056Å

2 d(Å) I h k l * 2 d(Å) I h k l * 2 d(Å) I h k l *
37.2449 2.412170 669 1 1 1 79.3846 1.206080 121 2 2 2 129.1648 0.852831 99 4 2 2
43.2748 2.089000 999 2 0 0 95.0315 1.044500 46 4 0 0 146.6681 0.804056 46 5 1 1
62.8610 1.477150 475 2 2 0 106.9566 0.958499 53 3 3 1
75.3923 1.259710 170 3 1 1 111.0774 0.934229 124 4 2 0
d-Spacings (10) - 01-071-1179 (Variable Slit Intensity) - Cu K1 1.54056Å
2 d(Å) I h k l * 2 d(Å) I h k l * 2 d(Å) I h k l *
37.2449 2.412170 582 1 1 1 79.3846 1.206080 214 2 2 2 129.1648 0.852831 247 4 2 2
43.2748 2.089000 1000 2 0 0 95.0315 1.044500 97 4 0 0 146.6681 0.804056 124 5 1 1
62.8610 1.477150 674 2 2 0 106.9566 0.958499 120 3 3 1
75.3923 1.259710 286 3 1 1 111.0774 0.934229 281 4 2 0

© 2021 International Centre for Diffraction Data. All rights reserved. Page 1 / 1