α-D-Glucose Monohydrate (C$_{6}$H$_{12}$O$_{6}$-H$_{2}$O) Structure: A6B14C7_mP54_4_6a_14a_7a-001
| Prototype | C$_{6}$H$_{14}$O$_{7}$ |
| AFLOW prototype label | A6B14C7_mP54_4_6a_14a_7a-001 |
| Mineral name | α-D-glucose monohydrate |
| CCDC | 1169293 |
| Pearson symbol | mP54 |
| Space group number | 4 |
| Space group symbol | $P2_1$ |
| AFLOW prototype command |
aflow --proto=A6B14C7_mP54_4_6a_14a_7a-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \beta, \allowbreak x_{1}, \allowbreak y_{1}, \allowbreak z_{1}, \allowbreak x_{2}, \allowbreak y_{2}, \allowbreak z_{2}, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak y_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak y_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak y_{11}, \allowbreak z_{11}, \allowbreak x_{12}, \allowbreak y_{12}, \allowbreak z_{12}, \allowbreak x_{13}, \allowbreak y_{13}, \allowbreak z_{13}, \allowbreak x_{14}, \allowbreak y_{14}, \allowbreak z_{14}, \allowbreak x_{15}, \allowbreak y_{15}, \allowbreak z_{15}, \allowbreak x_{16}, \allowbreak y_{16}, \allowbreak z_{16}, \allowbreak x_{17}, \allowbreak y_{17}, \allowbreak z_{17}, \allowbreak x_{18}, \allowbreak y_{18}, \allowbreak z_{18}, \allowbreak x_{19}, \allowbreak y_{19}, \allowbreak z_{19}, \allowbreak x_{20}, \allowbreak y_{20}, \allowbreak z_{20}, \allowbreak x_{21}, \allowbreak y_{21}, \allowbreak z_{21}, \allowbreak x_{22}, \allowbreak y_{22}, \allowbreak z_{22}, \allowbreak x_{23}, \allowbreak y_{23}, \allowbreak z_{23}, \allowbreak x_{24}, \allowbreak y_{24}, \allowbreak z_{24}, \allowbreak x_{25}, \allowbreak y_{25}, \allowbreak z_{25}, \allowbreak x_{26}, \allowbreak y_{26}, \allowbreak z_{26}, \allowbreak x_{27}, \allowbreak y_{27}, \allowbreak z_{27}$ |
- Glucose can be found in nature in three forms:
- Anhydrous $\alpha$-D-glucose,
- Anhydrous $\beta$-D-glucose, and
- $\alpha$-D-glucose monohydrate (this structure).
- This is a chiral compound.
- The
D
indicates that a solution of this form of glucose will rotate polarized light to the right, while theL
type rotates light to the left. - Only D-glucose is found in nature, but the L-type can be synthesized.
- As $\alpha$-L-glucose monohydrate is the enantiomer of the $\alpha$-D form its structure should be a mirror image of this one, but we have not been able to find a report of its structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \cos{\beta} \,\mathbf{\hat{x}}+c \sin{\beta} \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+y_{1} \, \mathbf{a}_{2}+z_{1} \, \mathbf{a}_{3}$ | = | $\left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{1} \,\mathbf{\hat{y}}+c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{1}+\left(y_{1} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}$ | = | $- \left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $\left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}+c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C II |
| $\mathbf{B_{4}}$ | = | $- x_{2} \, \mathbf{a}_{1}+\left(y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ | = | $- \left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C II |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{3} \,\mathbf{\hat{y}}+c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C III |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}+\left(y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C III |
| $\mathbf{B_{7}}$ | = | $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{4} \,\mathbf{\hat{y}}+c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C IV |
| $\mathbf{B_{8}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- \left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C IV |
| $\mathbf{B_{9}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}+c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C V |
| $\mathbf{B_{10}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- \left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C V |
| $\mathbf{B_{11}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}+c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C VI |
| $\mathbf{B_{12}}$ | = | $- x_{6} \, \mathbf{a}_{1}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $- \left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | C VI |
| $\mathbf{B_{13}}$ | = | $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $\left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}+c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H I |
| $\mathbf{B_{14}}$ | = | $- x_{7} \, \mathbf{a}_{1}+\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $- \left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H I |
| $\mathbf{B_{15}}$ | = | $x_{8} \, \mathbf{a}_{1}+y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $\left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}+c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H II |
| $\mathbf{B_{16}}$ | = | $- x_{8} \, \mathbf{a}_{1}+\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $- \left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H II |
| $\mathbf{B_{17}}$ | = | $x_{9} \, \mathbf{a}_{1}+y_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $\left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}+c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H III |
| $\mathbf{B_{18}}$ | = | $- x_{9} \, \mathbf{a}_{1}+\left(y_{9} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{9} \, \mathbf{a}_{3}$ | = | $- \left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{9} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H III |
| $\mathbf{B_{19}}$ | = | $x_{10} \, \mathbf{a}_{1}+y_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $\left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}+c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H IV |
| $\mathbf{B_{20}}$ | = | $- x_{10} \, \mathbf{a}_{1}+\left(y_{10} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{10} \, \mathbf{a}_{3}$ | = | $- \left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{10} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H IV |
| $\mathbf{B_{21}}$ | = | $x_{11} \, \mathbf{a}_{1}+y_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $\left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}+c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H V |
| $\mathbf{B_{22}}$ | = | $- x_{11} \, \mathbf{a}_{1}+\left(y_{11} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{11} \, \mathbf{a}_{3}$ | = | $- \left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{11} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H V |
| $\mathbf{B_{23}}$ | = | $x_{12} \, \mathbf{a}_{1}+y_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $\left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{12} \,\mathbf{\hat{y}}+c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H VI |
| $\mathbf{B_{24}}$ | = | $- x_{12} \, \mathbf{a}_{1}+\left(y_{12} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{12} \, \mathbf{a}_{3}$ | = | $- \left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{12} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H VI |
| $\mathbf{B_{25}}$ | = | $x_{13} \, \mathbf{a}_{1}+y_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $\left(a x_{13} + c z_{13} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{13} \,\mathbf{\hat{y}}+c z_{13} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H VII |
| $\mathbf{B_{26}}$ | = | $- x_{13} \, \mathbf{a}_{1}+\left(y_{13} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{13} \, \mathbf{a}_{3}$ | = | $- \left(a x_{13} + c z_{13} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{13} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{13} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H VII |
| $\mathbf{B_{27}}$ | = | $x_{14} \, \mathbf{a}_{1}+y_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $\left(a x_{14} + c z_{14} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{14} \,\mathbf{\hat{y}}+c z_{14} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H VIII |
| $\mathbf{B_{28}}$ | = | $- x_{14} \, \mathbf{a}_{1}+\left(y_{14} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{14} \, \mathbf{a}_{3}$ | = | $- \left(a x_{14} + c z_{14} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{14} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{14} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H VIII |
| $\mathbf{B_{29}}$ | = | $x_{15} \, \mathbf{a}_{1}+y_{15} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $\left(a x_{15} + c z_{15} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{15} \,\mathbf{\hat{y}}+c z_{15} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H IX |
| $\mathbf{B_{30}}$ | = | $- x_{15} \, \mathbf{a}_{1}+\left(y_{15} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{15} \, \mathbf{a}_{3}$ | = | $- \left(a x_{15} + c z_{15} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{15} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{15} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H IX |
| $\mathbf{B_{31}}$ | = | $x_{16} \, \mathbf{a}_{1}+y_{16} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $\left(a x_{16} + c z_{16} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{16} \,\mathbf{\hat{y}}+c z_{16} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H X |
| $\mathbf{B_{32}}$ | = | $- x_{16} \, \mathbf{a}_{1}+\left(y_{16} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{16} \, \mathbf{a}_{3}$ | = | $- \left(a x_{16} + c z_{16} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{16} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{16} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H X |
| $\mathbf{B_{33}}$ | = | $x_{17} \, \mathbf{a}_{1}+y_{17} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $\left(a x_{17} + c z_{17} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{17} \,\mathbf{\hat{y}}+c z_{17} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XI |
| $\mathbf{B_{34}}$ | = | $- x_{17} \, \mathbf{a}_{1}+\left(y_{17} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{17} \, \mathbf{a}_{3}$ | = | $- \left(a x_{17} + c z_{17} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{17} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{17} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XI |
| $\mathbf{B_{35}}$ | = | $x_{18} \, \mathbf{a}_{1}+y_{18} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $\left(a x_{18} + c z_{18} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{18} \,\mathbf{\hat{y}}+c z_{18} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XII |
| $\mathbf{B_{36}}$ | = | $- x_{18} \, \mathbf{a}_{1}+\left(y_{18} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{18} \, \mathbf{a}_{3}$ | = | $- \left(a x_{18} + c z_{18} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{18} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{18} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XII |
| $\mathbf{B_{37}}$ | = | $x_{19} \, \mathbf{a}_{1}+y_{19} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $\left(a x_{19} + c z_{19} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{19} \,\mathbf{\hat{y}}+c z_{19} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XIII |
| $\mathbf{B_{38}}$ | = | $- x_{19} \, \mathbf{a}_{1}+\left(y_{19} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{19} \, \mathbf{a}_{3}$ | = | $- \left(a x_{19} + c z_{19} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{19} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{19} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XIII |
| $\mathbf{B_{39}}$ | = | $x_{20} \, \mathbf{a}_{1}+y_{20} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $\left(a x_{20} + c z_{20} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{20} \,\mathbf{\hat{y}}+c z_{20} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XIV |
| $\mathbf{B_{40}}$ | = | $- x_{20} \, \mathbf{a}_{1}+\left(y_{20} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{20} \, \mathbf{a}_{3}$ | = | $- \left(a x_{20} + c z_{20} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{20} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{20} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | H XIV |
| $\mathbf{B_{41}}$ | = | $x_{21} \, \mathbf{a}_{1}+y_{21} \, \mathbf{a}_{2}+z_{21} \, \mathbf{a}_{3}$ | = | $\left(a x_{21} + c z_{21} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{21} \,\mathbf{\hat{y}}+c z_{21} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O I |
| $\mathbf{B_{42}}$ | = | $- x_{21} \, \mathbf{a}_{1}+\left(y_{21} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{21} \, \mathbf{a}_{3}$ | = | $- \left(a x_{21} + c z_{21} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{21} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{21} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O I |
| $\mathbf{B_{43}}$ | = | $x_{22} \, \mathbf{a}_{1}+y_{22} \, \mathbf{a}_{2}+z_{22} \, \mathbf{a}_{3}$ | = | $\left(a x_{22} + c z_{22} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{22} \,\mathbf{\hat{y}}+c z_{22} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O II |
| $\mathbf{B_{44}}$ | = | $- x_{22} \, \mathbf{a}_{1}+\left(y_{22} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{22} \, \mathbf{a}_{3}$ | = | $- \left(a x_{22} + c z_{22} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{22} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{22} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O II |
| $\mathbf{B_{45}}$ | = | $x_{23} \, \mathbf{a}_{1}+y_{23} \, \mathbf{a}_{2}+z_{23} \, \mathbf{a}_{3}$ | = | $\left(a x_{23} + c z_{23} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{23} \,\mathbf{\hat{y}}+c z_{23} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O III |
| $\mathbf{B_{46}}$ | = | $- x_{23} \, \mathbf{a}_{1}+\left(y_{23} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{23} \, \mathbf{a}_{3}$ | = | $- \left(a x_{23} + c z_{23} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{23} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{23} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O III |
| $\mathbf{B_{47}}$ | = | $x_{24} \, \mathbf{a}_{1}+y_{24} \, \mathbf{a}_{2}+z_{24} \, \mathbf{a}_{3}$ | = | $\left(a x_{24} + c z_{24} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{24} \,\mathbf{\hat{y}}+c z_{24} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O IV |
| $\mathbf{B_{48}}$ | = | $- x_{24} \, \mathbf{a}_{1}+\left(y_{24} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{24} \, \mathbf{a}_{3}$ | = | $- \left(a x_{24} + c z_{24} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{24} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{24} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O IV |
| $\mathbf{B_{49}}$ | = | $x_{25} \, \mathbf{a}_{1}+y_{25} \, \mathbf{a}_{2}+z_{25} \, \mathbf{a}_{3}$ | = | $\left(a x_{25} + c z_{25} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{25} \,\mathbf{\hat{y}}+c z_{25} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O V |
| $\mathbf{B_{50}}$ | = | $- x_{25} \, \mathbf{a}_{1}+\left(y_{25} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{25} \, \mathbf{a}_{3}$ | = | $- \left(a x_{25} + c z_{25} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{25} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{25} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O V |
| $\mathbf{B_{51}}$ | = | $x_{26} \, \mathbf{a}_{1}+y_{26} \, \mathbf{a}_{2}+z_{26} \, \mathbf{a}_{3}$ | = | $\left(a x_{26} + c z_{26} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{26} \,\mathbf{\hat{y}}+c z_{26} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O VI |
| $\mathbf{B_{52}}$ | = | $- x_{26} \, \mathbf{a}_{1}+\left(y_{26} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{26} \, \mathbf{a}_{3}$ | = | $- \left(a x_{26} + c z_{26} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{26} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{26} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O VI |
| $\mathbf{B_{53}}$ | = | $x_{27} \, \mathbf{a}_{1}+y_{27} \, \mathbf{a}_{2}+z_{27} \, \mathbf{a}_{3}$ | = | $\left(a x_{27} + c z_{27} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{27} \,\mathbf{\hat{y}}+c z_{27} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O VII |
| $\mathbf{B_{54}}$ | = | $- x_{27} \, \mathbf{a}_{1}+\left(y_{27} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{27} \, \mathbf{a}_{3}$ | = | $- \left(a x_{27} + c z_{27} \cos{\beta}\right) \,\mathbf{\hat{x}}+b \left(y_{27} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- c z_{27} \sin{\beta} \,\mathbf{\hat{z}}$ | (2a) | O VII |
References
- E. Hough, S. Neidle, D. Rogers, and P. G. H. Troughton, The crystal structure α-D-glucose monohydrate, Acta Cryst. 29, 365–367 (1973), doi:10.1107/S0567740873002529.
First cited in
- N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).
Geometry files
Prototype Generator
aflow --proto=A6B14C7_mP54_4_6a_14a_7a --params=$a,b/a,c/a,\beta,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11},x_{12},y_{12},z_{12},x_{13},y_{13},z_{13},x_{14},y_{14},z_{14},x_{15},y_{15},z_{15},x_{16},y_{16},z_{16},x_{17},y_{17},z_{17},x_{18},y_{18},z_{18},x_{19},y_{19},z_{19},x_{20},y_{20},z_{20},x_{21},y_{21},z_{21},x_{22},y_{22},z_{22},x_{23},y_{23},z_{23},x_{24},y_{24},z_{24},x_{25},y_{25},z_{25},x_{26},y_{26},z_{26},x_{27},y_{27},z_{27}$