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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/9/01/15/9011587.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_9011587
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;
 Johachidolite, CaAl[B3O7], a borate with very dense atomic structure
;
_journal_name_full               'Nature Physical Science'
_journal_page_first              63
_journal_page_last               65
_journal_paper_doi               10.1038/physci240063a0
_journal_volume                  240
_journal_year                    1972
_chemical_compound_source        'Johachido, North Korea'
_chemical_formula_sum            'Al B3 Ca O7'
_chemical_name_mineral           Johachidolite
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.970
_cell_length_b                   11.722
_cell_length_c                   4.374
_cell_formula_units_Z            4
_cell_volume                     408.638
_database_code_amcsd             0014687
_exptl_crystal_density_diffrn    3.438
_cod_original_formula_sum        'Ca Al B3 O7'
_cod_database_code               9011587
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
1/2+x,-y,z
+x,1/2-y,z
1/2-x,y,-z
-x,1/2+y,-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
1/2+x,y,-z
+x,1/2+y,-z
1/2-x,-y,z
-x,1/2-y,z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.25000 0.25000 0.00000 0.00988
Al 0.00000 0.00000 0.00000 0.00633
B1 0.25000 0.00000 0.50000 0.00633
B2 0.00000 0.13650 0.45710 0.00760
O1 0.00000 0.25000 0.32890 0.00722
O2 0.00000 0.13110 -0.22310 0.00773
O3 0.14660 0.07310 0.29900 0.00709
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014687
