#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/07/9010721.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_9010721
loop_
_publ_author_name
'Callegari, A.'
'Mazzi, F.'
'Tadini, C.'
_publ_section_title
;Modular aspects of the crystal structures of kurchatovite and
 clinokurchatovite Locality: Solongo, Siberia
;
_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        'Solongo, Siberia'
_chemical_formula_sum            'B2 Ca Mg O5'
_chemical_name_mineral           Kurchatovite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   36.34
_cell_length_b                   11.135
_cell_length_c                   5.499
_cell_formula_units_Z            24
_cell_volume                     2225.148
_database_code_amcsd             0006973
_exptl_crystal_density_diffrn    2.973
_cod_original_formula_sum        'Ca Mg B2 O5'
_cod_database_code               9010721
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-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 0.02961 0.87294 0.11592 0.01153
Ca2 0.13593 0.11800 0.68468 0.01178
Ca3 0.19752 0.88076 0.87266 0.01229
Mg1 0.07920 0.12820 0.13950 0.01051
Mg2 0.08800 0.87170 0.63530 0.01064
Mg3 0.24560 0.13090 -0.09410 0.01013
B1 0.05830 0.12440 0.62270 0.01089
B2 0.10840 0.88450 0.14190 0.01077
B3 0.22380 0.11640 0.40630 0.01051
B4 0.00380 0.11980 0.34880 0.01064
B5 0.16340 0.87700 0.40400 0.01051
B6 0.16970 0.12300 0.14290 0.00988
O1 0.07300 0.19810 0.79330 0.01127
O2 0.08930 0.80460 0.28170 0.01140
O3 0.24220 0.19580 0.26240 0.01153
O4 0.08010 0.05000 0.48820 0.01191
O5 0.09090 -0.04420 -0.02290 0.01241
O6 0.24190 0.04530 0.56760 0.01241
O7 0.01960 0.12730 0.58410 0.01279
O8 0.14680 0.89260 0.17100 0.01305
O9 0.18520 0.10900 0.37910 0.01254
O10 0.02320 0.08220 0.15220 0.01191
O11 0.14470 -0.09580 0.61030 0.01191
O12 0.18910 0.09060 -0.05780 0.01178
O13 0.03160 0.84150 0.66820 0.01406
O14 0.13510 0.16940 0.13070 0.01381
O15 0.19820 0.83280 0.40360 0.01431
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006973
