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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/36/9013612.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_9013612
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 = 10.93 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              557
_journal_page_last               564
_journal_volume                  94
_journal_year                    2009
_chemical_formula_structural     NaVSi2O7
_chemical_formula_sum            'Na O6 Si2 V'
_chemical_name_mineral           NaVSi2O7
_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                 105.89
_cell_angle_gamma                90
_cell_length_a                   9.453
_cell_length_b                   8.490
_cell_length_c                   5.150
_cell_volume                     397.525
_diffrn_ambient_pressure         1.093e+07
_exptl_crystal_density_diffrn    3.778
_[local]_cod_chemical_formula_sum_orig 'Na V Si2 O6'
_cod_database_code               9013612
_amcsd_database_code             AMCSD#0004901
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
Na 0.00000 0.30970 0.25000 0.01210
V 0.00000 0.90760 0.25000 0.00590
Si 0.29200 0.09370 0.24000 0.00670
O1 0.11530 0.08440 0.14590 0.00430
O2 0.36050 0.26070 0.32380 0.00960
O3 0.35630 0.01930 0.00050 0.00820