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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103645.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_8103645
loop_
_publ_author_name
'Aust, H.'
'Voellenkle, H.'
'Wittmann, A.'
_publ_section_title
;
 Die Kristallstruktur der Hoch- und der Tieftemperaturform von Ca Ge2 O5
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              82
_journal_page_last               90
_journal_volume                  144
_journal_year                    1976
_chemical_formula_sum            'Ca Ge2 O5'
_chemical_name_systematic        'Ca (Ge2 O5)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.75
_cell_angle_beta                 121.25
_cell_angle_gamma                91.05
_cell_formula_units_Z            4
_cell_length_a                   6.53
_cell_length_b                   8.8
_cell_length_c                   7.4
_cell_volume                     363.349
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Aust_ZEKGAX_1976_831.cif
_cod_data_source_block           Ca1Ge2O5
_cod_original_cell_volume        363.3492
_cod_original_sg_symbol_H-M      'P -1 (a+b,a-b,-c)'
_cod_original_formula_sum        'Ca1 Ge2 O5'
_cod_database_code               8103645
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,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 0.003 0.821 0.251 1 0.0
Ca1 Ca+2 0.5257 0.5806 0.2664 1 0.0
Ge2 Ge+4 0.75 0.75 0 1 0.0
O5 O-2 0.748 0.446 0.615 1 0.0
Ge3 Ge+4 0.75 0.25 0.5 1 0.0
O4 O-2 0.491 0.825 0.434 1 0.0
O3 O-2 0.52 0.803 0.079 1 0.0
O1 O-2 0.751 0.956 0.906 1 0.0
Ge1 Ge+4 0.4972 0.9355 0.2437 1 0.0
