#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/15/9011553.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_9011553
loop_
_publ_author_name
'Prewitt, C. T.'
'Sleight, A. W.'
_publ_section_title
;Garnet-like structures of high-pressure cadmium germanate and calcium
 germanate Note: changed O2(y) to -.0500 to match reported bond distances
;
_journal_name_full               Science
_journal_page_first              386
_journal_page_last               387
_journal_paper_doi               10.1126/science.163.3865.386
_journal_volume                  163
_journal_year                    1969
_chemical_formula_structural     CdGeO3
_chemical_formula_sum            'Cd Ge O3'
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.406
_cell_length_b                   12.406
_cell_length_c                   12.256
_cell_formula_units_Z            32
_cell_volume                     1886.307
_database_code_amcsd             0015419
_exptl_crystal_density_diffrn    6.564
_cod_database_code               9011553
_amcsd_formula_title             CdGeO3
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cd1 0.12560 0.00520 0.25640 0.00811
Cd2 0.00000 0.25000 0.62360 0.00773
Cd3 0.00000 0.00000 0.50000 0.00798
Ge1 0.00000 0.00000 0.00000 0.00545
Ge2 0.00000 0.25000 0.37500 0.00633
Ge3 0.00000 0.25000 0.87500 0.00456
Ge4 0.12670 0.01660 0.75990 0.00469
O1 0.02510 0.06720 0.67180 0.00519
O2 0.04780 -0.05000 0.86210 0.00456
O3 0.22600 0.11170 0.81010 0.00519
O4 0.21480 -0.08230 0.70230 0.00355
O5 -0.06530 0.16360 0.46960 0.00798
O6 -0.10510 0.21280 0.78400 0.00747
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015419
