data_3000055
loop_
_publ_author_name
'Anatoly Sapozhnikov'
'Ekaterina Kaneva'
'Ludmila Suvorova'
'Valery Levitsky'
'Larisa Ivanova'
_publ_section_title
;
 Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group
 mineral with unusual extra-framework anions
;
_journal_name_full               'To be published in Mineralogical Magazine'
_diffrn_ambient_temperature      293
_cell_measurement_temperature    293
_chemical_formula_sum            'Al6 Ca0.92 K1.99 Na5.1 O24 S5.54 Si6'
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_length_a                   12.9567(6)
_cell_length_b                   12.9567(6)
_cell_length_c                   10.7711(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1565.96(13)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           'Mo K\a'
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0277
_refine_ls_wR_factor_all         0.0400
_refine_ls_wR_factor_gt          0.0316
_refine_ls_wR_factor_ref         0.0307
_refine_ls_goodness_of_fit_ref   1.0678
_cod_hold_until_date             2016-09-12
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
