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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007988.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_9007988
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 Parawollastonite-type Cd3[Si3O9]
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i102
_journal_page_last               i104
_journal_paper_doi               10.1107/S1600536805015278
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     Cd3[Si3O9]
_chemical_formula_sum            'Cd O3 Si'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.791
_cell_angle_gamma                90
_cell_length_a                   6.9463
_cell_length_b                   7.2563
_cell_length_c                   15.0697
_cell_formula_units_Z            12
_cell_volume                     756.926
_database_code_amcsd             0010446
_exptl_crystal_density_diffrn    4.962
_cod_original_formula_sum        'Cd Si O3'
_cod_database_code               9007988
_amcsd_formula_title             Cd3[Si3O9]
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
Cd1 0.01235 0.37607 0.24850 0.00866
Cd2 0.24957 0.62788 0.09867 0.00993
Cd3 0.25370 0.11992 0.10152 0.00989
Si1 0.23852 0.16124 0.41008 0.00760
Si2 0.23940 0.59016 0.41056 0.00734
Si3 0.54611 0.37667 0.19864 0.00723
O1 0.04310 0.12320 0.34626 0.01030
O2 0.04280 0.63050 0.34907 0.01090
O3 0.22590 0.37990 0.01320 0.01310
O4 0.23140 0.62890 0.51484 0.01320
O5 0.29770 0.37608 0.40041 0.01370
O6 0.31730 0.37450 0.20452 0.01060
O7 0.41670 0.05510 0.36594 0.01210
O8 0.58420 0.19820 0.13334 0.01200
O9 0.69540 0.37590 0.28588 0.01000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010446
