| Crystal data |
| Chemical formula |
3[(Mg0.85Fe0.15)CO3] |
(Mg0.85Fe0.15)CO3
|
|
M
r
|
265.6 |
89 |
| Crystal system, space group |
Monoclinic, C2/m
|
Trigonal, R
c
|
| Temperature (K) |
293 |
293 |
|
a, b, c (Å) |
8.238 (3), 6.5774 (12), 6.974 (5) |
4.281 (7), 4.281 (7), 12.12 (2) |
| α, β, γ (°) |
90, 104.40 (6), 90 |
90, 90, 120 |
|
V (Å3) |
366.0 (3) |
192.3 (5) |
|
Z
|
4 |
6 |
| Radiation type |
Synchrotron, λ = 0.41107 Å |
Synchrotron, λ = 0.2952 Å |
| μ (mm−1) |
0.58 |
0.25 |
| Crystal size (mm) |
0.01 × 0.01 × 0.01 |
0.01 × 0.01 × 0.01 |
| |
| Data collection |
| Diffractometer |
ID15b @ ESRF |
13IDD @ APS (GSECARS) |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
T
min, T
max
|
0.104, 1 |
0.95, 1 |
| No. of measured, independent and observed [I > 3σ(I)] reflections |
522, 298, 211 |
176, 60, 33 |
|
R
int
|
0.020 |
0.053 |
| (sin θ/λ)max (Å−1) |
0.860 |
0.900 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.084, 0.095, 3.21 |
0.100, 0.084, 2.89 |
| No. of reflections |
298 |
60 |
| No. of parameters |
39 |
5 |
| Δρmax, Δρmin (e Å−3) |
1.76, −1.21 |
0.66, −0.50 |
