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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/10/9001020.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_9001020
loop_
_publ_author_name
'Hazen, R. M.'
'Au, A. Y.'
'Finger, L. W.'
_publ_section_title
;High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase
 (BeAlSiO4OH) Sample: Pressure = 36 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              977
_journal_page_last               984
_journal_volume                  71
_journal_year                    1986
_chemical_formula_sum            'Al2 Be3 O18 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.153
_cell_length_b                   9.153
_cell_length_c                   9.119
_cell_formula_units_Z            2
_cell_volume                     661.614
_database_code_amcsd             0001042
_diffrn_ambient_pressure         3.6e+06
_exptl_crystal_density_diffrn    2.698
_cod_original_formula_sum        'Be3 Al2 Si6 O18'
_cod_database_code               9001020
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,-z
x-y,x,z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,-z
-x,-y,z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,-z
y,-x+y,z
-x+y,y,1/2+z
x-y,-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
Be 0.50000 0.00000 0.25000 0.00507
Al 0.33333 0.66667 0.25000 0.01393
Si 0.38830 0.11610 0.00000 0.01102
O1 0.31110 0.23710 0.00000 0.01343
O2 0.49840 0.14500 0.14470 0.01241
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001042
