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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/07/9010722.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_9010722
loop_
_publ_author_name
'Callegari, A.'
'Mazzi, F.'
'Tadini, C.'
_publ_section_title
;Modular aspects of the crystal structures of kurchatovite and
 clinokurchatovite Locality: Sayak, Kazackhstan
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              277
_journal_page_last               282
_journal_paper_doi               10.1127/0935-1221/2003/0015-0277
_journal_volume                  15
_journal_year                    2003
_chemical_compound_source        'Sayak, Kazackhstan'
_chemical_formula_sum            'B2 Ca Mg O5'
_chemical_name_mineral           Clinokurchatovite
_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                 101.62
_cell_angle_gamma                90
_cell_length_a                   12.329
_cell_length_b                   11.146
_cell_length_c                   5.519
_cell_formula_units_Z            8
_cell_volume                     742.872
_database_code_amcsd             0006974
_exptl_crystal_density_diffrn    2.969
_cod_original_formula_sum        'Ca Mg B2 O5'
_cod_database_code               9010722
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
Ca1 0.08978 0.87289 0.15611 0.00785
Ca2 0.40702 0.11837 0.86805 0.00811
Mg1 0.23730 0.12790 0.24780 0.00646
Mg2 0.26430 0.87210 0.75460 0.00646
B1 0.17390 0.12460 0.70140 0.00684
B2 0.32730 0.88350 0.28910 0.00697
B3 0.01050 0.11950 0.35310 0.00722
B4 0.49130 0.87570 0.62630 0.00684
O1 0.21790 0.19750 0.89260 0.00849
O2 0.26880 0.80450 0.40260 0.00785
O3 0.23920 0.04950 0.59690 0.00823
O4 0.27480 -0.04440 0.10150 0.00760
O5 0.05760 0.12780 0.60890 0.00925
O6 0.44310 0.88980 0.37070 0.00912
O7 0.06920 0.08210 0.18370 0.00773
O8 0.43370 -0.09360 0.80330 0.00773
O9 0.09560 0.84120 0.71420 0.00887
O10 0.40450 0.16940 0.31830 0.00912
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006974
