#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/05/9010502.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9010502
loop_
_publ_author_name
'Nestola, F.'
'Nemeth, P.'
'Angel, R. J.'
'Buseck, P. R.'
_publ_section_title
;Equation of state and crystal structure of a new germanate post-titanite
 phase Locality: synthetic Note: pressure = 8.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1424
_journal_page_last               1428
_journal_paper_doi               10.2138/am.2008.2772
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_structural     CaGe2O5
_chemical_formula_sum            'Ca Ge2 O5'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.1236
_cell_length_b                   8.1912
_cell_length_c                   5.6468
_cell_formula_units_Z            4
_cell_volume                     329.495
_database_code_amcsd             0004635
_exptl_crystal_density_diffrn    5.348
_cod_original_cell_volume        329.496
_cod_database_code               9010502
_amcsd_formula_title             CaGe2O5
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.13130 0.66630 0.50000 0.00530
Ge1 0.00000 0.00000 0.25430 0.00440
Ge2 0.89180 0.64680 0.00000 0.00390
O1 0.10870 0.20790 0.24300 0.00500
O2 0.00000 0.50000 0.20400 0.00500
O3 0.16100 0.94390 0.50000 0.00500
O4 0.65500 0.57500 0.00000 0.00500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004635
