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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005795.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9005795
loop_
_publ_author_name
'Hazen R M'
'Au A Y'
_publ_section_title
;
 High-pressure crystal chemistry of phenakite (Be2SiO4)
 and bertrandite (Be4Si2O7(OH)2)
 Sample: P = 41 kbar
 Note: y-coordinate of O3 altered
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              69
_journal_page_last               78
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Be4 H2 O9 Si2'
_[local]_cod_chemical_formula_sum_orig 'Be4 Si2 O9 H2'
_chemical_name_mineral           Bertrandite
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.587
_cell_length_b                   14.912
_cell_length_c                   4.5901
_cell_volume                     587.759
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Be1 0.17230 0.05450 0.13600 0.01013
Be2 0.32970 0.22330 0.06500 0.00633
Si 0.32700 0.11280 0.64990 0.00570
O1 0.29560 0.12330 0.00000 0.01013
O2 0.20480 0.04430 0.50340 0.01013
O3 0.29900 0.20860 0.48460 0.01393
O4 0.00000 0.57960 0.58800 0.00887
O-H1 0.00000 0.76280 0.05330 0.00633
O-H2 0.00000 0.09470 0.07620 0.00760