data_3000203
loop_
_publ_author_name
'Neuberger, Sven'
'Culver, Sean P.'
'Eckert, Hellmut'
'Zeier, Wolfgang G.'
'Schmedt auf der G\"unne, J\"orn'
_publ_section_title
;
 Refinement of the Crystal Structure of Li4P2S6 using NMR Crystallography
;
_journal_name_full               'To be published in Dalton Trans.'
_diffrn_ambient_temperature      298
_cell_measurement_temperature    298
_diffrn_ambient_pressure         1
_chemical_name_systematic        'Tetralithium thiodiphosphate'
_chemical_name_common            'Tetralithium thiodiphosphate'
_chemical_formula_sum            'Li4 P2 S6'
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_length_a                   10.51452(6)
_cell_length_b                   10.51452(6)
_cell_length_c                   6.59148(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     631.092(9)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54056
_diffrn_radiation_type           'Cu K\a~1~'
_refine_ls_R_factor_all          3.22
_refine_ls_goodness_of_fit_all   1.92
_cod_hold_until_date             2018-11-28
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?