data_global
_amcsd_formula_title 'NaVSi2O6'
loop_
_publ_author_name
'Ullrich A'
'Miletich R'
'Nestola F'
'Weikusat C'
'Ohashi H'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 557
_journal_page_last 564
_publ_section_title
;
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 0.0001 GPa
;
_database_code_amcsd 0004897
_chemical_formula_sum 'Na V Si2 O6'
_cell_length_a 9.644
_cell_length_b 8.749
_cell_length_c 5.304
_cell_angle_alpha 90
_cell_angle_beta 106.96
_cell_angle_gamma 90
_cell_volume 428.063
_exptl_crystal_density_diffrn      3.508
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_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
Na   0.00000   0.30170   0.25000   0.01470
V   0.00000   0.90500   0.25000   0.00620
Si   0.29130   0.09090   0.23900   0.00760
O1   0.11590   0.07900   0.14460   0.00800
O2   0.36050   0.25770   0.30580   0.01130
O3   0.35190   0.00900   0.01350   0.00970