#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/63/9016331.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_9016331
loop_
_publ_author_name
'Lazic, B.'
'Armbruster, T.'
'Savelyeva, V. B.'
'Zadov, A. E.'
'Pertsev, N. N.'
'Dzierzanowski, P.'
_publ_section_title
;
 Galuskinite, Ca7(SiO4)3(CO3), a new skarn mineral from the Birkhin gabbro massif,
 Eastern Siberia, Russia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2631
_journal_page_last               2648
_journal_paper_doi               10.1180/minmag.2011.075.5.2631
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source
'Birkhin gabbro massif, Eastern Siberia, Russia'
_chemical_formula_sum            'C H0.218 Ca7 O15.109 Si3'
_chemical_name_mineral           Galuskinite
_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                 90.7880
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.7872
_cell_length_b                   6.7244
_cell_length_c                   10.4673
_cell_volume                     1322.237
_database_code_amcsd             0018535
_exptl_crystal_density_diffrn    3.108
_cod_original_formula_sum        'Ca7 Si3 O15.109 C H.218'
_cod_database_code               9016331
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_occupancy
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Ca1 0.25320 0.99544 0.03445 1.00000 0.01055 Ca 0
Ca2 0.00225 0.49318 -0.29336 1.00000 0.01029 Ca 0
Ca3 0.46782 0.94041 0.25248 1.00000 0.01130 Ca 0
Ca4 0.18601 0.34203 0.24622 1.00000 0.01206 Ca 0
Ca5 -0.08011 0.34023 -0.00397 1.00000 0.01214 Ca 0
Ca6 0.41771 0.23372 -0.00793 1.00000 0.01298 Ca 0
Ca7 0.26033 0.51157 -0.05254 1.00000 0.01028 Ca 0
Si1 0.42237 0.74899 -0.00051 1.00000 0.00795 Si 0
Si2 0.17238 0.71963 -0.25559 1.00000 0.00809 Si 0
Si3 0.09001 0.22209 0.00646 1.00000 0.00823 Si 0
O1 0.37171 0.91820 0.06360 1.00000 0.01380 O 0
O2 0.37975 0.56660 -0.06914 1.00000 0.01220 O 0
O3 0.52592 0.14830 0.10652 1.00000 0.01280 O 0
O4 0.47714 0.66610 0.10925 1.00000 0.01170 O 0
O5 0.20363 0.00540 0.23703 1.00000 0.01130 O 0
O6 0.21195 0.82700 -0.13590 1.00000 0.01420 O 0
O7 -0.08658 0.26930 0.23390 1.00000 0.01330 O 0
O8 -0.19184 0.33920 -0.11325 1.00000 0.01280 O 0
O9 0.07252 0.98860 0.00470 1.00000 0.01410 O 0
O10 0.17363 0.26090 -0.02450 1.00000 0.01270 O 0
O11 0.03815 0.33880 -0.09493 1.00000 0.01270 O 0
O12 0.07182 0.31980 0.14611 1.00000 0.01290 O 0
O13 0.30111 0.31080 0.13532 1.00000 0.01310 O 0
O14 0.30607 0.30510 0.34910 1.00000 0.01330 O 0
O15 0.40565 0.27990 0.23650 1.00000 0.01590 O 0
C 0.33806 0.30050 0.24050 1.00000 0.01130 C 0
Wat 0.33720 0.68100 0.25300 0.10900 0.02800 O 2
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:56:56+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018535
