#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106422.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106422
loop_
_publ_author_name
'Pye, M.F.'
'Birtill, J.J.'
'Dickens, P.G.'
_publ_section_title
;
 alpha Gallium oxide deuteriohydroxide: a powder neutron diffraction
 investigation
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3224
_journal_page_last               3226
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'D Ga O2'
_chemical_name_systematic        'Ga O (O D)'
_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_formula_units_Z            4
_cell_length_a                   4.516
_cell_length_b                   9.779
_cell_length_c                   2.966
_cell_volume                     130.984
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Pye_ACBCAR_1977_708.cif
_cod_data_source_block           D1Ga1O2
_cod_original_cell_volume        130.9844
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'D1 Ga1 O2'
_cod_database_code               2106422
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.7006 0.1955 0.25 1 0.0
D1 D+1 0.4031 0.0883 0.25 1 0.0
Ga1 Ga+3 0.0515 -0.1443 0.25 1 0.0
O2 O-2 0.1943 0.0551 0.25 1 0.0
