#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106905.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_2106905
loop_
_publ_author_name
'Calleri, M.'
'Gazzoni, G.'
_publ_section_title
;
 The structures of (Sr, Ba) ( (Al, Ga)2 (Si, Ge)2 O8). III. The crystal
 structures of the paracelsian-like modifications of synthetic Sr Ga2 Ge2
 O8 and Ba Ga2 Ge2 O8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1196
_journal_page_last               1205
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Ba Ga2 Ge2 O8'
_chemical_name_systematic        'Ba (Ga2 Ge2 O8)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.36
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.349
_cell_length_b                   9.903
_cell_length_c                   8.77
_cell_volume                     811.938
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Calleri_ACBCAR_1976_110.cif
_cod_data_source_block           Ba1Ga2Ge2O8
_cod_original_cell_volume        811.9382
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Ba1 Ga2 Ge2 O8'
_cod_database_code               2106905
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,z
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
O2 O-2 0.1974 0.0789 0.4932 1 0.0
Ge2 Ge+4 0.2352 0.9179 0.5633 1 0.0
O8 O-2 0.3146 0.9133 0.7442 1 0.0
O4 O-2 0.1239 0.3657 0.558 1 0.0
O5 O-2 0.9231 0.1907 1.0689 1 0.0
O6 O-2 0.911 0.1928 0.4375 1 0.0
O7 O-2 0.0056 0.1471 0.7581 1 0.0
Ga1 Ga+3 0.0609 0.1933 0.57 1 0.0
Ba1 Ba+2 0.8912 0.4118 0.2502 1 0.0
Ga2 Ga+3 0.2306 0.9205 0.933 1 0.0
O1 O-2 0.199 0.0883 1.0062 1 0.0
O3 O-2 0.1218 0.3648 0.942 1 0.0
Ge1 Ge+4 0.0633 0.1963 0.9376 1 0.0
