#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/36/9013615.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9013615
loop_
_publ_author_name
'Ullrich, A.'
'Miletich, R.'
'Nestola, F.'
'Weikusat, C.'
'Ohashi, H.'
_publ_section_title
;Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11
 GPa Note: P = 6.10 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              557
_journal_page_last               564
_journal_paper_doi               10.2138/am.2009.2993
_journal_volume                  94
_journal_year                    2009
_chemical_formula_structural     NaVSi2O7
_chemical_formula_sum            'Na O6 Si2 V'
_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                 106.31
_cell_angle_gamma                90
_cell_length_a                   9.519
_cell_length_b                   8.598
_cell_length_c                   5.208
_cell_volume                     409.092
_database_code_amcsd             0004905
_diffrn_ambient_pressure         6.1e+06
_exptl_crystal_density_diffrn    3.671
_cod_original_formula_sum        'Na V Si2 O6'
_cod_database_code               9013615
_amcsd_formula_title             NaVSi2O6
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 0.30550 0.25000 0.01420
V 0.00000 0.90670 0.25000 0.00610
Si 0.29200 0.09230 0.24000 0.00610
O1 0.11480 0.08170 0.14530 0.00520
O2 0.36100 0.25820 0.31700 0.00770
O3 0.35500 0.01550 0.00470 0.00860