#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/47/9014740.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_9014740
loop_
_publ_author_name
'Saburi, S.'
'Kawahara, A.'
'Henmi, C.'
'Kusachi, I.'
'Kihara, K.'
_publ_section_title
;
 The refinement of the crystal structure of cuspidine
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              286
_journal_page_last               298
_journal_paper_doi               10.2465/minerj.8.286
_journal_volume                  8
_journal_year                    1977
_chemical_compound_source        'Fuka, Okayama Prefecture, Japan'
_chemical_formula_sum            'Ca4 F2 O7 Si2'
_chemical_name_mineral           Cuspidine
_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                 70.7
_cell_angle_gamma                90
_cell_length_a                   7.518
_cell_length_b                   10.521
_cell_length_c                   10.906
_cell_formula_units_Z            4
_cell_volume                     814.152
_database_code_amcsd             0018273
_exptl_crystal_density_diffrn    2.990
_cod_original_formula_sum        'Ca4 Si2 O7 F2'
_cod_database_code               9014740
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
Ca1 0.16829 0.13451 0.42579
Ca2 0.66185 0.13010 0.41391
Ca3 0.46733 0.41443 0.32002
Ca4 0.96777 0.40429 0.30375
Si1 0.27263 0.19354 0.13238
Si2 0.84667 0.19123 0.12271
O1 0.06242 0.22547 0.12172
O2 0.28644 0.04608 0.16487
O3 0.80102 0.04458 0.16033
O4 0.26934 0.27839 0.25602
O5 0.72076 0.27914 0.24001
O6 0.40842 0.23932 0.99294
O7 0.85795 0.23458 0.97883
F1 0.57710 0.49645 0.10434
F2 0.07023 0.50358 0.10352
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018273
