#------------------------------------------------------------------------------
#$Date: 2017-10-16 00:16:12 +0200 (lun 16 de oct de 2017) $
#$Revision: 202026 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/09/1010943.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_1010943
loop_
_publ_author_name
'Aminoff, G'
_publ_section_title
;
Ueber Berylliumoxyd als Mineral und dessen Kristallstruktur.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              113
_journal_page_last               122
_journal_volume                  62
_journal_year                    1925
_chemical_compound_source        'from Langban, Sweden'
_chemical_formula_structural     'Be O'
_chemical_formula_sum            'Be O'
_chemical_name_mineral           Bromellite
_chemical_name_systematic        'Beryllium oxide'
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.685
_cell_length_b                   2.685
_cell_length_c                   4.369
_cell_volume                     27.3
_cod_database_code               1010943
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
y-x,y,z
x,x-y,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
y,x,1/2+z
x-y,-y,1/2+z
-x,y-x,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Be1 Be2+ 2 b 0.3333 0.6667 0. 1. 0 d
O1 O2- 2 b 0.3333 0.6667 0.375 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Be2+ 2.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 8394849
2 AMCSD 0017664
