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 = 7.62 GPa
;
_database_code_amcsd 0004903
_chemical_formula_sum 'Na V Si2 O6'
_cell_length_a 9.483
_cell_length_b 8.565
_cell_length_c 5.193
_cell_angle_alpha 90
_cell_angle_beta 106.13
_cell_angle_gamma 90
_cell_volume 405.181
_exptl_crystal_density_diffrn      3.706
_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   0.30680   0.25000   0.01450
V   0.00000   0.90720   0.25000   0.00690
Si   0.29210   0.09280   0.23990   0.00690
O1   0.11540   0.08290   0.14570   0.00620
O2   0.36150   0.25940   0.32000   0.00870
O3   0.35580   0.01760   0.00370   0.00950