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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/20/9012094.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_9012094
loop_
_publ_author_name
'Saburi, S.'
'Kusachi, I.'
'Henmi, C.'
'Kawahara, A.'
'Henmi, K.'
'Kawada, I.'
_publ_section_title
;
 Refinement of the structure of rankinite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              240
_journal_page_last               246
_journal_paper_doi               10.2465/minerj.8.240
_journal_volume                  8
_journal_year                    1976
_chemical_formula_sum            'Ca3 O7 Si2'
_chemical_name_mineral           Rankinite
_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                 119.586
_cell_angle_gamma                90
_cell_length_a                   10.557
_cell_length_b                   8.885
_cell_length_c                   7.858
_cell_formula_units_Z            4
_cell_volume                     640.969
_database_code_amcsd             0014417
_exptl_crystal_density_diffrn    2.989
_cod_original_formula_sum        'Ca3 Si2 O7'
_cod_database_code               9012094
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 0.00867 0.05871 0.28957 0.03382
Ca2 0.16829 0.57424 0.20934 0.03040
Ca3 0.34078 0.90736 0.28490 0.03128
Si1 0.09055 0.21502 0.98429 0.03040
Si2 0.29602 0.23395 0.43206 0.03014
O1 0.35625 0.39730 0.42113 0.03280
O2 0.17948 0.23873 0.50723 0.03420
O3 0.40989 0.10295 0.54763 0.03445
O4 0.20191 0.15519 0.20980 0.03420
O5 0.09903 0.39489 0.97373 0.03458
O6 0.14429 0.14102 0.84624 0.03432
O7 0.92820 0.16241 0.93207 0.03774
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014417
