data_9011146
_publ_section_title
;
 Refinement of the crystal structure of NaScSi2O6
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2615
_journal_page_last               2616
_journal_paper_doi               10.1107/S0567740873007156
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Na O6 Sc Si2'
_chemical_name_mineral           Jervisite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.215
_cell_angle_gamma                90
_cell_length_a                   9.8438
_cell_length_b                   9.0439
_cell_length_c                   5.3540
_cell_volume                     455.294
_exptl_crystal_density_diffrn    3.211
_[local]_cod_chemical_formula_sum_orig 'Na Sc Si2 O6'
_cod_database_code               9011146
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
NaM2 0.00000 0.30360 0.25000 0.01659
ScM1 0.00000 0.89627 0.25000 0.00532
SiA1 0.29130 0.08731 0.24390 0.00507
O1A1 0.11820 0.07850 0.14550 0.00646
O2A1 0.35910 0.24790 0.30720 0.00887
O3A1 0.35040 0.00820 0.01790 0.00836
