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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106987.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_2106987
loop_
_publ_author_name
'Iijima, K.'
'Marumo, F.'
_publ_section_title
;
 The room-temperature structure of Ba Zn Ge O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1112
_journal_page_last               1116
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Ba Ge O4 Zn'
_chemical_name_systematic        'Ba Zn (Ge O4)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.2905
_cell_length_b                   9.2905
_cell_length_c                   8.728
_cell_volume                     652.414
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Iijima_ACBCAR_1982_1724.cif
_cod_data_source_block           Ba1Ge1O4Zn1
_cod_original_cell_volume        652.4144
_cod_original_formula_sum        'Ba1 Ge1 O4 Zn1'
_cod_database_code               2106987
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-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
O6 O-2 0.624 0.583 0.768 0.3333 0.0
Ba3 Ba+2 0.6667 0.3333 0.2523 1 0.0
Ge1 Ge+4 0.6674 -0.0049 0.4587 1 0.0
Zn1 Zn+2 0.6654 0.6598 0.561 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.2536 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
O4 O-2 0.75 0.697 0.78 0.3333 0.0
O5 O-2 0.656 0.675 0.755 0.3333 0.0
O3 O-2 0.765 0.204 0.514 1 0.0
O2 O-2 0.45 0.892 0.514 1 0.0
O1 O-2 0.78 0.895 0.488 1 0.0
