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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/9/01/17/9011797.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_9011797
loop_
_publ_author_name
'Pring, A.'
'Din, V. K.'
'Jefferson, D. A.'
'Thomas, J. M.'
_publ_section_title
;
 The crystal chemistry of rhodizite: a re-examination
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              163
_journal_page_last               172
_journal_paper_doi               10.1180/minmag.1986.050.355.22
_journal_volume                  50
_journal_year                    1986
_chemical_compound_source
'Ambatofinandrahana, Ankarata Mts, Madagascar'
_chemical_formula_sum
'Al4 B11.35 Be4.56 Cs0.36 K0.46 Na0.02 O28 Rb0.06'
_chemical_name_mineral           Rhodizite
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.318
_cell_length_b                   7.318
_cell_length_c                   7.318
_cell_formula_units_Z            1
_cell_volume                     391.902
_database_code_amcsd             0014483
_exptl_crystal_density_diffrn    3.352
_cod_original_formula_sum
'K.46 Cs.36 Rb.06 Na.02 Al4 Be4.56 B11.35 O28'
_cod_database_code               9011797
loop_
_space_group_symop_operation_xyz
x,y,z
-z,x,-y
-y,z,-x
-x,y,-z
x,-z,-y
z,-y,-x
y,-x,-z
x,z,y
z,y,x
y,x,z
-z,-x,y
-y,-z,x
-x,-y,z
z,-x,-y
y,-z,-x
x,-y,-z
-x,z,-y
-z,y,-x
-y,x,-z
-x,-z,y
-z,-y,x
-y,-x,z
z,x,y
y,z,x
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
K 0.00000 0.00000 0.00000 0.46000 0.02500
Cs 0.00000 0.00000 0.00000 0.36000 0.02500
Rb 0.00000 0.00000 0.00000 0.06000 0.02500
Na 0.00000 0.00000 0.00000 0.02000 0.02500
Al 0.36000 0.36000 0.36000 1.00000 0.00150
Be 0.74290 0.74290 0.74290 1.00000 0.00590
B 0.24820 0.50000 0.00000 0.94580 0.00360
BeB 0.24820 0.50000 0.00000 0.04670 0.00360
O1 0.61890 0.61890 0.61890 1.00000 0.00240
O2 0.36370 0.36370 0.09970 1.00000 0.00380
O3 0.13470 0.13470 0.60130 1.00000 0.00360
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014483
