| Crystal data |
| Chemical formula |
K1.65Na0.35TiFe(PO4)3
|
K0.97Na1.03Ti1.26Fe0.74(PO4)3
|
|
M
r
|
461.19 |
448.16 |
| Crystal system, space group |
Cubic, P213 |
Cubic, P213 |
| Temperature (K) |
293 |
293 |
|
a (Å) |
9.82010 (13) |
9.7945 (1) |
|
V (Å3) |
947.00 (4) |
939.61 (3) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
3.69 |
3.27 |
| Crystal size (mm) |
0.13 × 0.10 × 0.07 |
0.15 × 0.11 × 0.08 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur-3 |
Oxford Diffraction Xcalibur-3 |
| Absorption correction |
Multi-scan (Blessing, 1995 ▸) |
Multi-scan (Blessing, 1995 ▸) |
|
T
min, T
max
|
0.675, 0.782 |
0.622, 0.835 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
1897, 847, 829 |
10546, 837, 833 |
|
R
int
|
0.027 |
0.026 |
| (sin θ/λ)max (Å−1) |
0.681 |
0.681 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.025, 0.064, 1.14 |
0.016, 0.043, 1.12 |
| No. of reflections |
847 |
837 |
| No. of parameters |
63 |
63 |
| Δρmax, Δρmin (e Å−3) |
0.48, −0.37 |
0.29, −0.27 |
| Absolute structure |
Flack x determined using 339 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
Flack x determined using 349 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.02 (2) |
−0.042 (11) |
