#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/36/9013611.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_9013611
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 = 9.39 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                 105.99
_cell_angle_gamma                90
_cell_length_a                   9.469
_cell_length_b                   8.521
_cell_length_c                   5.169
_cell_formula_units_Z            4
_cell_volume                     400.926
_database_code_amcsd             0004901
_diffrn_ambient_pressure         9.39e+06
_exptl_crystal_density_diffrn    3.746
_cod_original_formula_sum        'Na V Si2 O6'
_cod_database_code               9013611
_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 0.30810 0.25000 0.01340
V 0.00000 0.90780 0.25000 0.00620
Si 0.29210 0.09340 0.23990 0.00620
O1 0.11500 0.08450 0.14570 0.00550
O2 0.36010 0.26120 0.32200 0.00920
O3 0.35500 0.01880 0.00210 0.00830
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004901
