AFLOW Prototype: AB4C24D12_tI82_87_a_h_2h2i_hi
Prototype | : | ClNa4O24(Al3Si9) |
AFLOW prototype label | : | AB4C24D12_tI82_87_a_h_2h2i_hi |
Strukturbericht designation | : | $S6_{4}$ |
Pearson symbol | : | tI82 |
Space group number | : | 87 |
Space group symbol | : | $I4/m$ |
AFLOW prototype command | : | aflow --proto=AB4C24D12_tI82_87_a_h_2h2i_hi --params=$a$,$c/a$,$x_{2}$,$y_{2}$,$x_{3}$,$y_{3}$,$x_{4}$,$y_{4}$,$x_{5}$,$y_{5}$,$x_{6}$,$y_{6}$,$z_{6}$,$x_{7}$,$y_{7}$,$z_{7}$,$x_{8}$,$y_{8}$,$z_{8}$ |
marialitescapolite distinguishes this from meionite scapolite, which replaces the sodium atoms by calcium but also includes SiO4 and CO3, which replace the chlorine atoms. According to Pauling,
The minerals of the scapolite group can be considered as solid solution of two end–members, marialite, Na4Al3Si9O24Cl, and meionite, Ca4Al6Si6O24(SO4,CO3), in various proportions.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{Cl} \\ \mathbf{B}_{2} & = & y_{2} \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + \left(x_{2}+y_{2}\right) \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + y_{2}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Na} \\ \mathbf{B}_{3} & = & -y_{2} \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{2} + \left(-x_{2}-y_{2}\right) \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}}-y_{2}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Na} \\ \mathbf{B}_{4} & = & x_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + \left(x_{2}-y_{2}\right) \, \mathbf{a}_{3} & = & -y_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Na} \\ \mathbf{B}_{5} & = & -x_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \left(-x_{2}+y_{2}\right) \, \mathbf{a}_{3} & = & y_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Na} \\ \mathbf{B}_{6} & = & y_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \left(x_{3}+y_{3}\right) \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O I} \\ \mathbf{B}_{7} & = & -y_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \left(-x_{3}-y_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O I} \\ \mathbf{B}_{8} & = & x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \left(x_{3}-y_{3}\right) \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O I} \\ \mathbf{B}_{9} & = & -x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O I} \\ \mathbf{B}_{10} & = & y_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \mathbf{B}_{11} & = & -y_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \mathbf{B}_{12} & = & x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \mathbf{B}_{13} & = & -x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{O II} \\ \mathbf{B}_{14} & = & y_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + \left(x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Si I} \\ \mathbf{B}_{15} & = & -y_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} + \left(-x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Si I} \\ \mathbf{B}_{16} & = & x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Si I} \\ \mathbf{B}_{17} & = & -x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Si I} \\ \mathbf{B}_{18} & = & \left(y_{6}+z_{6}\right) \, \mathbf{a}_{1} + \left(x_{6}+z_{6}\right) \, \mathbf{a}_{2} + \left(x_{6}+y_{6}\right) \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + y_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{19} & = & \left(-y_{6}+z_{6}\right) \, \mathbf{a}_{1} + \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{2} + \left(-x_{6}-y_{6}\right) \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-y_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{20} & = & \left(x_{6}+z_{6}\right) \, \mathbf{a}_{1} + \left(-y_{6}+z_{6}\right) \, \mathbf{a}_{2} + \left(x_{6}-y_{6}\right) \, \mathbf{a}_{3} & = & -y_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{21} & = & \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{1} + \left(y_{6}+z_{6}\right) \, \mathbf{a}_{2} + \left(-x_{6}+y_{6}\right) \, \mathbf{a}_{3} & = & y_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{22} & = & \left(-y_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{2} + \left(-x_{6}-y_{6}\right) \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-y_{6}a \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{23} & = & \left(y_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(x_{6}-z_{6}\right) \, \mathbf{a}_{2} + \left(x_{6}+y_{6}\right) \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + y_{6}a \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{24} & = & \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(y_{6}-z_{6}\right) \, \mathbf{a}_{2} + \left(-x_{6}+y_{6}\right) \, \mathbf{a}_{3} & = & y_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{25} & = & \left(x_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(-y_{6}-z_{6}\right) \, \mathbf{a}_{2} + \left(x_{6}-y_{6}\right) \, \mathbf{a}_{3} & = & -y_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O III} \\ \mathbf{B}_{26} & = & \left(y_{7}+z_{7}\right) \, \mathbf{a}_{1} + \left(x_{7}+z_{7}\right) \, \mathbf{a}_{2} + \left(x_{7}+y_{7}\right) \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{x}} + y_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{27} & = & \left(-y_{7}+z_{7}\right) \, \mathbf{a}_{1} + \left(-x_{7}+z_{7}\right) \, \mathbf{a}_{2} + \left(-x_{7}-y_{7}\right) \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{x}}-y_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{28} & = & \left(x_{7}+z_{7}\right) \, \mathbf{a}_{1} + \left(-y_{7}+z_{7}\right) \, \mathbf{a}_{2} + \left(x_{7}-y_{7}\right) \, \mathbf{a}_{3} & = & -y_{7}a \, \mathbf{\hat{x}} + x_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{29} & = & \left(-x_{7}+z_{7}\right) \, \mathbf{a}_{1} + \left(y_{7}+z_{7}\right) \, \mathbf{a}_{2} + \left(-x_{7}+y_{7}\right) \, \mathbf{a}_{3} & = & y_{7}a \, \mathbf{\hat{x}}-x_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{30} & = & \left(-y_{7}-z_{7}\right) \, \mathbf{a}_{1} + \left(-x_{7}-z_{7}\right) \, \mathbf{a}_{2} + \left(-x_{7}-y_{7}\right) \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{x}}-y_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{31} & = & \left(y_{7}-z_{7}\right) \, \mathbf{a}_{1} + \left(x_{7}-z_{7}\right) \, \mathbf{a}_{2} + \left(x_{7}+y_{7}\right) \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{x}} + y_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{32} & = & \left(-x_{7}-z_{7}\right) \, \mathbf{a}_{1} + \left(y_{7}-z_{7}\right) \, \mathbf{a}_{2} + \left(-x_{7}+y_{7}\right) \, \mathbf{a}_{3} & = & y_{7}a \, \mathbf{\hat{x}}-x_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{33} & = & \left(x_{7}-z_{7}\right) \, \mathbf{a}_{1} + \left(-y_{7}-z_{7}\right) \, \mathbf{a}_{2} + \left(x_{7}-y_{7}\right) \, \mathbf{a}_{3} & = & -y_{7}a \, \mathbf{\hat{x}} + x_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{O IV} \\ \mathbf{B}_{34} & = & \left(y_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(x_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(x_{8}+y_{8}\right) \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + y_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \mathbf{B}_{35} & = & \left(-y_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(-x_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(-x_{8}-y_{8}\right) \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}}-y_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \mathbf{B}_{36} & = & \left(x_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(-y_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(x_{8}-y_{8}\right) \, \mathbf{a}_{3} & = & -y_{8}a \, \mathbf{\hat{x}} + x_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \mathbf{B}_{37} & = & \left(-x_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(y_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(-x_{8}+y_{8}\right) \, \mathbf{a}_{3} & = & y_{8}a \, \mathbf{\hat{x}}-x_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \mathbf{B}_{38} & = & \left(-y_{8}-z_{8}\right) \, \mathbf{a}_{1} + \left(-x_{8}-z_{8}\right) \, \mathbf{a}_{2} + \left(-x_{8}-y_{8}\right) \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}}-y_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \mathbf{B}_{39} & = & \left(y_{8}-z_{8}\right) \, \mathbf{a}_{1} + \left(x_{8}-z_{8}\right) \, \mathbf{a}_{2} + \left(x_{8}+y_{8}\right) \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + y_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \mathbf{B}_{40} & = & \left(-x_{8}-z_{8}\right) \, \mathbf{a}_{1} + \left(y_{8}-z_{8}\right) \, \mathbf{a}_{2} + \left(-x_{8}+y_{8}\right) \, \mathbf{a}_{3} & = & y_{8}a \, \mathbf{\hat{x}}-x_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \mathbf{B}_{41} & = & \left(x_{8}-z_{8}\right) \, \mathbf{a}_{1} + \left(-y_{8}-z_{8}\right) \, \mathbf{a}_{2} + \left(x_{8}-y_{8}\right) \, \mathbf{a}_{3} & = & -y_{8}a \, \mathbf{\hat{x}} + x_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(16i\right) & \text{Si II} \\ \end{array} \]