#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/61/9016191.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_9016191
loop_
_publ_author_name
'Zachariasen, W.'
_publ_section_title
;
 The crystalline structure of hambergite Be2BO3(OH)
 _cod_database_code 1011268
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              289
_journal_page_last               302
_journal_volume                  76
_journal_year                    1931
_chemical_formula_sum            'B Be2 O4'
_chemical_name_mineral           Hambergite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.75
_cell_length_b                   12.204
_cell_length_c                   4.429
_cell_formula_units_Z            8
_cell_volume                     527.002
_database_code_amcsd             0018127
_exptl_crystal_density_diffrn    2.340
_cod_duplicate_entry             1011268
_cod_original_formula_sum        'Be2 B O4'
_cod_database_code               9016191
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-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_attached_hydrogens
Be1 -0.03100 0.18300 0.45800 0
Be2 0.23600 0.06900 0.45800 0
B1 0.11700 0.10300 -0.02800 0
O1 0.03100 0.18300 -0.16700 0
O2 0.09700 0.10300 0.27800 0
O3 0.19400 0.03800 -0.16700 0
O4 -0.16700 0.18300 0.16700 1
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018127
