#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002291.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_2002291
loop_
_publ_author_name
'Schweizer, M'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Zur Verbindungsbildung von Me O: M2 O3, Teil III. Zur Kenntnis von Be
Ga2 O4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (33,1978-41,1986)
;
_journal_page_first              1067
_journal_page_last               1069
_journal_volume                  34
_journal_year                    1979
_chemical_formula_structural     'Be Ga2 O4'
_chemical_formula_sum            'Be Ga2 O4'
_chemical_name_systematic        'Beryllium digallium oxide'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.75
_cell_length_b                   7.75
_cell_length_c                   2.98
_cell_volume                     155.0
_refine_ls_R_factor_all          0.066
_cod_database_code               2002291
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
-x,-y,-z
y,y-x,-z
x-y,x,-z
x,y,1/2-z
-y,x-y,1/2-z
y-x,-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+ 6 h 0.4072 0.2371 0.25 0.3333 0 d
Ga1 Ga3+ 6 h 0.4072 0.2371 0.25 0.6666 0 d
O1 O2- 6 h 0.024 0.332 0.25 1. 0 d
O2 O2- 2 d 0.6666 0.3333 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Be2+ 2.000
Ga3+ 3.000
O2- -2.000
