00-038-0487 Jan 19, 2018 1:39 PM (Ascencion)

Status Primary QM: Star Pressure/Temperature: Ambient

Chemical Formula: Cu2 Zn4 Al2 ( O H )16 C O3 ·4 H2 O Empirical Formula: Al2 C Cu2 H24 O23 Zn4
Weight %: Al6.37 C1.42 Cu15.01 H2.86 O43.46 Zn30.88 Atomic %: Al3.57 C1.79 Cu3.57 H42.86 O41.07 Zn7.14
Compound Name: Copper Zinc Aluminum Carbonate Hydroxide Hydrate Entry Date: 09/01/1988

Radiation: CuKá : 1.5418 Å Filter: Ni Beta d-Spacing: Diff. Intensity: Diffractometer - Integrated
Internal Standard: Si

SYS: Rhombohedral SPGR: R-3m (166)

Author's Cell [ AuthCell a: 3.072 ŠAuthCell c: 22.62 ŠAuthCell Vol: 184.87 ų ]
Author's Cell Axial Ratio [ c/a: 7.363 ] SS/FOM: F(14) = 33.7(0.024, 17)
Temp: 298.0 K (Ambient temperature assigned by ICDD editor)

Space Group: R-3m (166) Molecular Weight: 846.76 g/mol

Crystal Data [ XtlCell a: 3.072 Å XtlCell b: 3.072 Å XtlCell c: 22.620 Å XtlCell : 90.00°
XtlCell : 90.00° XtlCell : 120.00° XtlCell Vol: 184.87 ų ]
Crystal Data Axial Ratio [ c/a: 7.363 a/b: 1.000 c/b: 7.363 ]
Reduced Cell [ RedCell a: 3.072 Å RedCell b: 3.072 Å RedCell c: 7.746 Å RedCell : 78.56°
RedCell : 78.56° RedCell : 60.00° RedCell Vol: 61.62 ų ]

Crystal (Symmetry Allowed): Centrosymmetric

Subfile(s): Inorganic Pearson Symbol: hR?

References:
Type DOI Reference
Primary Reference Busetto, C. et al. J. Catal. 85, 260 (1984).

d-Spacings (14) - Cu2 Zn4 Al2 ( O H )16 C O3 ·4 H2 O - 00-038-0487 (Stick, Fixed Slit Intensity) - Cu K1 1.54056 Å
2 (°) d (Å) I h k l * 2 (°) d (Å) I h k l * 2 (°) d (Å) I h k l *
11.7505 7.525000 100 0 0 3 39.2578 2.293000 35 0 1 5 60.2398 1.535000 12 1 1 0
23.5792 3.770000 43 0 0 6 44.0730 2.053000 5 1 0 7 61.5695 1.505000 15 1 1 3
33.9282 2.640000 8 1 0 1 46.8904 1.936000 29 0 1 8 63.8320 1.457000 4 1 0 13
34.6175 2.589000 41 0 1 2 53.1101 1.723000 10 1 0 10 65.5453 1.423000 6 1 1 6
37.3762 2.404000 9 1 0 4 56.5530 1.626000 5 0 1 11

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