| Name: | BARTONITE | ||
| Specification: | [1] | ||
| Formula: | K6Fe21S26(S,Cl) | ||
| Symmetry Class: | tetragonal | ||
| Space Group: | I 4/mmm | ||
| Unit Cell Parameters: | a = 10.4240 | c = 20.6260 | ||
| Number of Formula Unit: | Z = 2 | Unit Cell Volume, Å3: | Vc = 2241.22 |
| Number of Atomic Position per full Unit Cell: | P/U = 114 | Molar Volume, cm3/mol: | Vm = 674.98 |
| Number of Reflexes used in Structure Determination: | NR = 504 | X-ray density, g/cm3: | p = 3.29 |
| R-factor: | R = 0.0680 | MU, 1/cm: | µ = 333.602 |
| Wave Length for Calculated Powder Diffraction Patterns: | Co=1.78892 | Mass attenuation coefficient, cm2/g: | µ/p = 101.316 |
| Theta-Interval for CPDP: | T/I = 1-45 | ||