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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/58/9005847.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_9005847
loop_
_publ_author_name
'Hazen, R. M.'
_publ_section_title
;
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 1.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              13
_journal_page_last               20
_journal_volume                  14
_journal_year                    1987
_chemical_formula_sum            'Al2 Be O4'
_chemical_name_mineral           Chrysoberyl
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.421
_cell_length_b                   9.399
_cell_length_c                   5.471
_cell_formula_units_Z            4
_cell_volume                     227.336
_database_code_amcsd             0007429
_diffrn_ambient_pressure         1.4e+06
_exptl_crystal_density_diffrn    3.710
_cod_database_code               9005847
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-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
Al1 0.00000 0.00000 0.00000 0.01229
Al2 0.99390 0.27330 0.25000 0.00925
Be 0.42950 0.08880 0.25000 0.00760
O1 0.79040 0.08940 0.25000 0.01115
O2 0.24210 0.43530 0.25000 0.01469
O3 0.25240 0.16170 0.01620 0.01368
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007429
