#------------------------------------------------------------------------------
#$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $
#$Revision: 893 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006919.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_9006919
loop_
_publ_author_name
'Arlt T'
'Angel R J'
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 5.304 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'O3 Si Zn'
_chemical_name_mineral           ZnSiO3
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.906
_cell_angle_gamma                90
_cell_length_a                   9.4098
_cell_length_b                   8.8327
_cell_length_c                   4.9800
_cell_volume                     401.776
_diffrn_ambient_pressure         5.304e+06
_[local]_cod_chemical_formula_sum_orig 'Zn Si O3'
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
ZnM1 0.50000 0.40370 0.25000 0.00456
ZnM2 0.00000 0.26800 0.25000 0.00481
Si 0.29870 0.08810 0.22320 0.00177
O1 0.12260 0.09060 0.14320 0.00722
O2 0.37740 0.23560 0.37370 0.00494
O3 0.35290 0.05380 -0.06650 0.00519