#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/19/9011913.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_9011913
loop_
_publ_author_name
'Mamedov, K. S.'
'Belov, N. V.'
_publ_section_title
;
 The crystal structure of wollastonite
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              463
_journal_page_last               466
_journal_volume                  107
_journal_year                    1956
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Wollastonite-2M
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.4
_cell_angle_gamma                90
_cell_length_a                   15.36
_cell_length_b                   7.285
_cell_length_c                   7.084
_cell_formula_units_Z            12
_cell_volume                     789.165
_database_code_amcsd             0012435
_exptl_crystal_density_diffrn    2.933
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9011913
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca1 0.25000 0.37500 0.00000 0.00760
Ca2 0.60200 0.37500 0.26300 0.00760
Ca3 0.60200 0.87500 0.26300 0.00760
Si1 0.40600 0.08000 0.23200 0.00760
Si2 0.40600 0.67000 0.23200 0.00760
Si3 0.30000 0.37500 0.44300 0.00760
O1 0.29700 0.37500 0.66700 0.00760
O2 0.29700 0.87500 0.66700 0.00760
O3 0.34500 0.12500 0.04700 0.00760
O4 0.34500 0.62500 0.04700 0.00760
O5 0.50700 0.12500 0.22900 0.00760
O6 0.50700 0.62500 0.22900 0.00760
O7 0.36200 0.19800 0.40600 0.00760
O8 0.36200 0.55200 0.40600 0.00760
O9 0.40600 0.87500 0.23200 0.00760
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012435
