data_9008451
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: ScPx
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              278
_journal_page_last               294
_journal_paper_doi               10.1524/zkri.219.5.278.32748
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     LiScSi2O6
_chemical_formula_sum            'Li O6 Sc Si2'
_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                 110.39
_cell_angle_gamma                90
_cell_length_a                   9.805
_cell_length_b                   8.949
_cell_length_c                   5.358
_cell_volume                     440.680
_database_code_amcsd             0011120
_exptl_crystal_density_diffrn    3.076
_[local]_cod_chemical_formula_sum_orig 'Li Sc Si2 O6'
_cod_database_code               9008451
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
Li 0.00000 0.25670 0.25000 0.01800
Sc 0.00000 0.89509 0.25000 0.00300
Si 0.29888 0.08677 0.27774 0.00290
O1 0.12081 0.08338 0.15780 0.00440
O2 0.37060 0.24900 0.34450 0.00780
O3 0.35442 0.00540 0.05750 0.00930
