#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017535.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_9017535
loop_
_publ_author_name
'Seryotkin, Y. V.'
'Sokol, E. V.'
'Kokh, S. N.'
_publ_section_title
;
 Natural pseudowollastonite: Crystal structure, associated minerals, and
 geological context
;
_journal_name_full               Lithos
_journal_page_first              75
_journal_page_last               90
_journal_volume                  134-135
_journal_year                    2012
_chemical_compound_source        'Nabi Musa dome, Israel'
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Pseudowollastonite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.6805
_cell_angle_gamma                90
_cell_length_a                   6.83556
_cell_length_b                   11.86962
_cell_length_c                   19.6255
_cell_formula_units_Z            24
_cell_volume                     1592.212
_database_code_amcsd             0020448
_exptl_crystal_density_diffrn    2.908
_cod_data_source_file            inputs/fixed/downloads/17/17781.cif
_cod_data_source_block           17781
_cod_original_cell_volume        1592.213
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9017535
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
Ca1 0.00000 0.00000 0.00000
Ca2 0.00000 0.34269 0.25000
Ca3 0.00000 0.32896 0.75000
Ca4 0.00000 0.00448 0.75000
Ca5 0.01122 0.33571 0.00046
Si1 0.29303 0.03890 0.37504
Si2 0.09278 0.17031 0.12790
Si3 0.29810 0.29718 0.37790
O1 0.34745 0.34490 0.45191
O2 0.15487 0.48795 0.19702
O3 0.19045 0.17213 0.20202
O4 0.05634 0.28089 0.37485
O5 0.20079 0.17030 0.05692
O6 0.05207 0.05802 0.37383
O7 0.35422 0.35114 0.30691
O8 0.15807 0.48531 0.05277
O9 0.38925 0.16732 0.37621
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020448
