#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9003413.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9003413
loop_
_publ_author_name
'Thompson R M'
'Downs R T'
_publ_section_title
;
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model sodium indium px after Ohashi et al. (1990)
 with O3-O3-O3 angle = 171.0 and model oxygen radius = 1.338
;
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'In Na Si2 O6'
_chemical_name_mineral           Pyroxene-ideal
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.4
_cell_angle_gamma                90
_cell_length_a                   9.967
_cell_length_b                   9.241
_cell_length_c                   5.335
_cell_volume                     463.481
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
In 0.00000 0.91667 0.25000
Na 0.00000 0.25000 0.25000
Si 0.30810 0.08333 0.27480
O1 0.13380 0.08333 0.16650
O2 0.36620 0.25000 0.33350
O3 0.36620 0.01130 0.04960