#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/69/9006919.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_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_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     ZnSiO3
_chemical_formula_sum            'O3 Si Zn'
_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                 103.906
_cell_angle_gamma                90
_cell_length_a                   9.4098
_cell_length_b                   8.8327
_cell_length_c                   4.9800
_cell_formula_units_Z            8
_cell_volume                     401.776
_database_code_amcsd             0008501
_diffrn_ambient_pressure         5.304e+06
_exptl_crystal_density_diffrn    4.678
_cod_original_formula_sum        'Zn Si O3'
_cod_database_code               9006919
_amcsd_formula_title             ZnSiO3
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
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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008501
