#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008151.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_9008151
loop_
_publ_author_name
'Trojer, F. J.'
_publ_section_title
;
 The crystal structure of parawollastonite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               308
_journal_volume                  127
_journal_year                    1968
_chemical_compound_source        'Crestmore, California, USA'
_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                 95.404
_cell_angle_gamma                90
_cell_length_a                   15.426
_cell_length_b                   7.320
_cell_length_c                   7.066
_cell_formula_units_Z            12
_cell_volume                     794.335
_database_code_amcsd             0010667
_exptl_crystal_density_diffrn    2.914
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9008151
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
Ca1 0.24820 0.37580 0.97120
Ca2 0.40110 0.62650 0.73970
Ca3 0.39870 0.12090 0.73640
Si1 0.40760 0.09070 0.23130
Si2 0.40750 0.65980 0.23130
Si3 0.30160 0.37610 0.44320
O1 0.30000 0.37470 0.66850
O2 0.21560 0.37590 0.30310
O3 0.34900 0.13970 0.03280
O4 0.34730 0.61570 0.03480
O5 0.50860 0.12260 0.23880
O6 0.50780 0.61760 0.23470
O7 0.36420 0.19620 0.40600
O8 0.36330 0.55330 0.40670
O9 0.39060 0.87550 0.27670
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010667
