| Name: | GRATIANITE | ||
| Specification: | [1] | ||
| Formula: | (Mn,Fe)Bi2S4 | ||
| Symmetry Class: | monoclinic-beta | ||
| Space Group: | C 2/m | ||
| Unit Cell Parameters: | a = 12.6770 | b = 3.9140 | c = 14.7580 | beta = 115.3000 | ||
| Number of Formula Unit: | Z = 4 | Unit Cell Volume, Å3: | Vc = 661.97 |
| Number of Atomic Position per full Unit Cell: | P/U = 28 | Molar Volume, cm3/mol: | Vm = 99.68 |
| Number of Reflexes used in Structure Determination: | - | X-ray density, g/cm3: | p = 6.13 |
| R-factor: | - | MU, 1/cm: | µ = 1296.143 |
| Wave Length for Calculated Powder Diffraction Patterns: | Cu=1.54056 | Mass attenuation coefficient, cm2/g: | µ/p = 211.325 |
| Theta-Interval for CPDP: | T/I = 1-45 | ||