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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/1/53/62/1536276.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_1536276
loop_
_publ_author_name
'Jost, K.H.'
'Wolf, H.'
'Thilo, E.'
_publ_section_title
;
 Nachweis monomerer Baugruppen in Schmelzen von Polygermanatosilicaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              42
_journal_page_last               47
_journal_volume                  353
_journal_year                    1967
_chemical_formula_sum            'Ca Ge0.5 O3 Si0.5'
_chemical_name_systematic        'Ca ((Si0.5 Ge0.5) O3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.3
_cell_angle_beta                 94.5
_cell_angle_gamma                102.7
_cell_formula_units_Z            6
_cell_length_a                   7.96
_cell_length_b                   7.45
_cell_length_c                   7.08
_cell_volume                     408.214
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jost_ZAACAB_1967_717.cif
_cod_data_source_block           Ca1Ge0.5O3Si0.5
_cod_original_cell_volume        408.2144
_cod_original_formula_sum        'Ca1 Ge0.5 O3 Si0.5'
_cod_database_code               1536276
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Ge3 Ge+4 0.4011 0.724 0.0537 0.69 0.0
O7 O-2 0.271 0.512 0.0896 1 0.0
O5 O-2 0.0211 0.625 0.7262 1 0.0
Ca2 Ca+2 0.2021 0.929 0.7606 1 0.0
Ge2 Ge+4 0.176 0.955 0.2701 0.405 0.0
Si1 Si+4 0.1888 0.387 0.2693 0.595 0.0
O4 O-2 0.3085 0.937 0.4691 1 0.0
Ge1 Ge+4 0.1888 0.387 0.2693 0.405 0.0
Si2 Si+4 0.176 0.955 0.2701 0.595 0.0
O1 O-2 0.4181 0.231 0.7908 1 0.0
O3 O-2 0.2983 0.464 0.4654 1 0.0
Ca1 Ca+2 0.1987 0.423 0.7574 1 0.0
Ca3 Ca+2 0.4957 0.249 0.472 1 0.0
O6 O-2 0.0298 0.132 0.7387 1 0.0
O8 O-2 0.2691 0.872 0.0894 1 0.0
Si3 Si+4 0.4011 0.724 0.0537 0.31 0.0
O9 O-2 0.2336 0.178 0.2174 1 0.0
O2 O-2 0.4003 0.726 0.8188 1 0.0
