#------------------------------------------------------------------------------
#$Date: 2015-10-10 06:25:39 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 164935 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104174.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_8104174
loop_
_publ_author_name
'Fischer, R.X.'
'Schneider, H.'
_publ_section_title
;
 Crystal chemistry of iron containing germanium andalusites,
 FexAl8-xGe4O20
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              19
_journal_page_last               36
_journal_volume                  201
_journal_year                    1992
_chemical_formula_sum            'Al5.004 Fe3.004 Ge4 O20'
_chemical_name_systematic        'Fe3.004 Al5.004 Ge4 O20'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.0376
_cell_length_b                   8.1673
_cell_length_c                   5.7726
_cell_volume                     378.945
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Fischer_ZEKRDZ_1992_50.cif
_cod_data_source_block           Al5.004Fe3.004Ge4O20
_cod_original_cell_volume        378.9452
_cod_database_code               8104174
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-y-1/2,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
Al1 Al+3 0 0 0.2449 0.557 0.0
O2 O-2 0.4377 0.3596 0 1 0.0
Fe2 Fe+3 0.3703 0.1366 0.5 0.308 0.0
O4 O-2 0.2321 0.1312 0.2532 1 0.0
Al2 Al+3 0.3703 0.1366 0.5 0.692 0.0
Ge1 Ge+4 0.2485 0.2491 0 1 0.0
O1 O-2 0.4268 0.3571 0.5 1 0.0
O3 O-2 0.0995 0.4018 0 1 0.0
Fe1 Fe+3 0 0 0.2449 0.443 0.0
