Bastnäsite [CeF(CO$_{3}$), $G7_{1}$] Structure: ABCD3_hP36_190_h_g_af_hi-001
| Prototype | CCeFO$_{3}$ |
| AFLOW prototype label | ABCD3_hP36_190_h_g_af_hi-001 |
| Strukturbericht designation | $G7_{1}$ |
| Mineral name | bastnäsite |
| ICSD | 72939 |
| Pearson symbol | hP36 |
| Space group number | 190 |
| Space group symbol | $P\overline{6}2c$ |
| AFLOW prototype command |
aflow --proto=ABCD3_hP36_190_h_g_af_hi-001
--params=$a, \allowbreak c/a, \allowbreak z_{2}, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}$ |
Other compounds with this structure
LaF(CO$_{3}$)
- Technically the name bastnäsite belongs to both cerium and lanthanum compounds, and the are usually designated bastnäsite-(Ce) and bastnäsite-(La), respectively.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | F I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2a) | F I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ | (4f) | F II |
| $\mathbf{B_{4}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}- \left(z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c \left(z_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4f) | F II |
| $\mathbf{B_{5}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{2} \,\mathbf{\hat{z}}$ | (4f) | F II |
| $\mathbf{B_{6}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\left(z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4f) | F II |
| $\mathbf{B_{7}}$ | = | $x_{3} \, \mathbf{a}_{1}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}$ | (6g) | Ce I |
| $\mathbf{B_{8}}$ | = | $x_{3} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}$ | (6g) | Ce I |
| $\mathbf{B_{9}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}$ | (6g) | Ce I |
| $\mathbf{B_{10}}$ | = | $x_{3} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (6g) | Ce I |
| $\mathbf{B_{11}}$ | = | $x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (6g) | Ce I |
| $\mathbf{B_{12}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (6g) | Ce I |
| $\mathbf{B_{13}}$ | = | $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (6h) | C I |
| $\mathbf{B_{14}}$ | = | $- y_{4} \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} - 2 y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (6h) | C I |
| $\mathbf{B_{15}}$ | = | $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (6h) | C I |
| $\mathbf{B_{16}}$ | = | $y_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (6h) | C I |
| $\mathbf{B_{17}}$ | = | $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} - 2 y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (6h) | C I |
| $\mathbf{B_{18}}$ | = | $- x_{4} \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (6h) | C I |
| $\mathbf{B_{19}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (6h) | O I |
| $\mathbf{B_{20}}$ | = | $- y_{5} \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{5} - 2 y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (6h) | O I |
| $\mathbf{B_{21}}$ | = | $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (6h) | O I |
| $\mathbf{B_{22}}$ | = | $y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (6h) | O I |
| $\mathbf{B_{23}}$ | = | $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{5} - 2 y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (6h) | O I |
| $\mathbf{B_{24}}$ | = | $- x_{5} \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (6h) | O I |
| $\mathbf{B_{25}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{26}}$ | = | $- y_{6} \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{27}}$ | = | $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{28}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{29}}$ | = | $- y_{6} \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{30}}$ | = | $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{31}}$ | = | $y_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{32}}$ | = | $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{33}}$ | = | $- x_{6} \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{34}}$ | = | $y_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{35}}$ | = | $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12i) | O II |
| $\mathbf{B_{36}}$ | = | $- x_{6} \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12i) | O II |
References
- Y. Ni, J. M. Hughes, and A. N. Mariano, The atomic arrangement of bastnäsite-(Ce), Ce(CO$_{3}$)F, and structural elements of synchysite-(Ce), röntgenite-(Ce), and parisite-(Ce), Am. Mineral. 78, 415–418 (1993).
Prototype Generator
aflow --proto=ABCD3_hP36_190_h_g_af_hi --params=$a,c/a,z_{2},x_{3},x_{4},y_{4},x_{5},y_{5},x_{6},y_{6},z_{6}$