| Crystal data |
| Chemical formula |
Na2MoO42D2O |
Na2WO42D2O |
|
M
r
|
245.99 |
333.87 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
295 |
295 |
|
a, b, c () |
8.482961(14), 10.566170(17), 13.83195(3) |
8.482514(15), 10.595156(19), 13.85640(3) |
|
V (3) |
1239.79(1) |
1245.32(1) |
|
Z
|
8 |
8 |
| Radiation type |
Neutron |
Neutron |
| (mm1) |
0.03 + 0.0007 * |
0.03 + 0.0033 * |
| Specimen shape, size (mm) |
Cylinder, 38 11 |
Cylinder, 50 11 |
| |
| Data collection |
| Diffractometer |
HRPD, High resolution neutron powder |
HRPD, High resolution neutron powder |
| Specimen mounting |
Vanadium tube |
Vanadium tube |
| Data collection mode |
Transmission |
Transmission |
| Scan method |
Time of flight |
Time of flight |
| Absorption correction |
Analytical [data were corrected for self shielding using scatt = 93.812 barns and ab() = 3.657 barns at 1.798 during the normalization procedure. The linear absorption coefficient is wavelength dependent and is calculated as: = 0.0308 + 0.0007 * (mm1)] |
analytical [data were corrected for self shielding using scatt = 94.190 barns and ab() = 19.484 barns at 1.798 during the normalization procedure. The linear absorption coefficient is wavelength dependent and is calculated as: = 0.0284 + 0.0033 * (mm1)] |
|
T
min, T
max
|
0.685, 0.706 |
0.700, 0.603 |
| 2 values () |
2fixed = 168.329 |
2fixed = 168.329 |
| Distance from source to specimen (mm) |
95000 |
95000 |
| Distance from specimen to detector (mm) |
965 |
965 |
| |
| Refinement |
|
R factors and goodness of fit |
R
p = 0.013, R
wp = 0.013, R
exp = 0.007, R(F
2) = 0.05255, 2 = 3.534 |
R
p = 0.014, R
wp = 0.013, R
exp = 0.007, R(F
2) = 0.04597, 2 = 3.312 |
| No. of data points |
4610 |
4610 |
| No. of parameters |
133 |
133 |
