data_3000229
loop_
_publ_author_name
'Parise, John B.'
'Xia, Bingying'
'Simonson, Jack W.'
'Woerner, William R.'
'Plonka, Anna M.'
'Phillips, Brian L.'
'Ehm, Lars'
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'Al5 H O8'
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90.000(4)
_cell_angle_beta                 90.000(4)
_cell_angle_gamma                120.000(6)
_cell_length_a                   5.6244(3)
_cell_length_b                   5.6244(3)
_cell_length_c                   8.8417(3)
_cell_measurement_temperature    100
_cell_volume                     242.22(2)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41328
_refine_ls_goodness_of_fit_gt    2.39
_refine_ls_goodness_of_fit_ref   2.33
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0255
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0621
_cod_database_code               3000229
_cod_hold_until_date             2020-03-19
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
