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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009473.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_9009473
loop_
_publ_author_name
'Hoskins, B. F.'
'Mumme, W. G.'
'Pryce, M. W.'
_publ_section_title
;
 Holtite, (Si2.25Sb0.75)B[Al6(Al0.43 Ta0.27[]0.30)O15(O,OH)2.25]:
 crystal structure and crystal chemistry
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              457
_journal_page_last               463
_journal_paper_doi               10.1180/minmag.1989.053.372.05
_journal_volume                  53
_journal_year                    1989
_chemical_compound_source        'Greenbrushes, Australia'
_chemical_formula_sum            'Al6.43 B O17.25 Sb0.75 Si2.25 Ta0.27'
_chemical_name_mineral           Holtite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6914
_cell_length_b                   11.896
_cell_length_c                   20.383
_cell_formula_units_Z            4
_cell_volume                     1137.553
_database_code_amcsd             0014489
_exptl_crystal_density_diffrn    3.875
_cod_original_formula_sum        'Al6.43 Ta.27 Si2.25 Sb.75 B O17.25'
_cod_database_code               9009473
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-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_occupancy
Al1 0.40520 0.75000 0.24990 0.43000
Ta1 0.40520 0.75000 0.24990 0.27000
Al2 0.55710 0.61070 0.47350 1.00000
Al3 0.05880 0.48990 0.43150 1.00000
Al4 0.06030 0.35930 0.29020 1.00000
Si1 0.08780 0.75000 0.40770 0.75000
Sb1 0.11500 0.75000 0.38230 0.25000
Si2 0.58900 0.52160 0.32940 0.75000
Sb2 0.61170 0.56320 0.31640 0.25000
B 0.22520 0.25000 0.41580 1.00000
O1 0.37980 0.75000 0.45720 1.00000
O2 0.16180 0.75000 0.33050 0.75000
O3 0.89060 0.63770 0.42430 1.00000
O4 0.40160 0.43480 0.28150 1.00000
O5 0.39220 0.55110 0.39420 1.00000
O6 0.88370 0.45040 0.35180 1.00000
O7 0.66080 0.63330 0.28860 0.75000
O8 0.17290 0.25000 0.34990 1.00000
O9 0.25310 0.35080 0.44770 1.00000
O10 0.76200 0.25000 0.27340 1.00000
O11 0.74980 0.46700 0.48830 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014489
