01-070-8070 Nov 6, 2020 3:58 PM (ma)

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

Empirical Formula: O Zn Weight %: O19.66 Zn80.34 Atomic %: O50.00 Zn50.00 ANX: AX
Compound Name: Zinc Oxide Mineral Name: Zincite, syn

Radiation: CuKá : 1.5406Å d-Spacing: Calculated Intensity: Calculated I/Ic: 5.36

SYS: Hexagonal SPGR: P63mc (186)

Author's Cell [ AuthCell a: 3.2489(1)ŠAuthCell c: 5.2049(3)ŠAuthCell Vol: 47.58ų AuthCell Z: 2.00
AuthCell MolVol: 23.79 ] Author's Cell Axial Ratio [ c/a: 1.602 ]
Density [ Dcalc: 5.68g/cm³ Dstruc: 5.68g/cm³ ] SS/FOM: F(27) = 999.9(0.0004, 29)
Temp: 298.000K (Ambient temperature assigned by ICDD editor) R-factor: 0.026

Space Group: P63mc (186) Molecular Weight: 81.38

Crystal Data [ XtlCell a: 3.249Å XtlCell b: 3.249Å XtlCell c: 5.205Å XtlCell : 90.00° XtlCell : 90.00°
XtlCell : 120.00° XtlCell Vol: 47.58ų XtlCell Z: 2.00 ]
Crystal Data Axial Ratio [ c/a: 1.602 a/b: 1.000 c/b: 1.602 ]
Reduced Cell [ RedCell a: 3.249Å RedCell b: 3.249Å RedCell c: 5.205Å RedCell : 90.00°
RedCell : 90.00° RedCell : 120.00° RedCell Vol: 47.58ų ]

Crystal (Symmetry Allowed): Non-centrosymmetric, Pyro / Piezo (p), Piezo (2nd Harm.)

Pearson: hP4.00 Prototype Structure: Zn O Prototype Structure (Alpha Order): O Zn

LPF Prototype Structure: Zn O,hP4,186 LPF Prototype Structure (Alpha Order): O Zn,hP4,186
Forensic, Metals & Alloys, Mineral Related (Mineral , Synthetic), ICSD Pattern, Inorganic, Pharmaceutical, Alternate
Subfile(s): Pattern, Common Phase, Pigment/Dye

Entry Date: 07/27/2010 Last Modification Date: 01/17/2013

References:
Type DOI Reference
Primary Reference Calculated from ICSD using POWD-12++.
"Crystal structure of ZnO:Li at 293K and 19K by X-ray diffraction". Yoshio, K., Onodera, A., Satoh, H., Sakagami, N.,
Structure Yamashita, H. Ferroelectrics 264, 133 (2001).

ANX: AX. Analysis: O1 Zn1. Formula from original source: Zn O. ICSD Collection Code: 094002. Wyckoff
Database Comments: Sequence: b2(P63MC). Unit Cell Data Source: Single Crystal.

d-Spacings (27) - 01-070-8070 (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 *
31.7771 2.813630 564 1 0 0 72.5935 1.301220 17 0 0 4 107.4837 0.955255 7 2 0 4
34.4329 2.602450 414 0 0 2 76.9852 1.237570 34 2 0 2 110.4306 0.937877 28 3 0 0
36.2641 2.475130 999 1 0 1 81.4161 1.181040 17 1 0 4 116.3277 0.906681 69 2 1 3
47.5543 1.910510 216 1 0 2 89.6451 1.092730 68 2 0 3 121.6201 0.882329 36 3 0 2
56.6118 1.624450 312 1 1 0 92.8249 1.063450 22 2 1 0 125.2331 0.867483 5 0 0 6
62.8785 1.476780 275 1 0 3 95.3406 1.041930 66 2 1 1 134.0002 0.836801 30 2 0 5
66.3964 1.406810 41 2 0 0 98.6578 1.015580 35 1 1 4 136.6189 0.828977 7 1 0 6
67.9695 1.378030 222 1 1 2 102.9730 0.984432 25 2 1 2 138.6014 0.823434 10 2 1 4
69.1081 1.358080 109 2 0 1 104.1799 0.976303 45 1 0 5 143.0124 0.812225 20 2 2 0

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