#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/36/9003675.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_9003675
loop_
_publ_author_name
'Nakatsuka, A.'
'Chaya, H.'
'Yoshiasa, A.'
_publ_section_title
;Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3
 GPa and 1000 C Note: alternate origin, resulting in coordinates similar to
 some majorite refinements
;
_journal_name_full               'American Mineralogist'
_journal_page_first              732
_journal_page_last               736
_journal_paper_doi               10.2138/am.2005.1763
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     CaGeO3
_chemical_formula_sum            'Ca 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                   12.535
_cell_length_b                   12.535
_cell_length_c                   12.370
_cell_formula_units_Z            32
_cell_volume                     1943.651
_database_code_amcsd             0003773
_exptl_crystal_density_diffrn    4.393
_exptl_crystal_pressure_history  'synthesized at 3 GPa'
_exptl_crystal_thermal_history   'synthesized at 3 GPa and 1000 C'
_cod_database_code               9003675
_amcsd_formula_title             CaGeO3
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
CaX1 0.12459 0.00296 0.25307 0.00569
CaX2 0.00000 0.25000 0.62325 0.00574
CaY1 0.00000 0.00000 0.50000 0.00532
GeY2 0.00000 0.00000 0.00000 0.00365
GeZ1 0.00000 0.25000 0.37500 0.00404
GeZ2 0.00000 0.25000 0.87500 0.00483
GeZ3 0.12647 0.01509 0.75723 0.00333
O1 0.03087 0.06623 0.67127 0.00610
O2 0.04303 -0.04195 0.86141 0.00515
O3 0.22260 0.11082 0.80554 0.00365
O4 0.21030 -0.07756 0.69968 0.00637
O5 -0.06722 0.16676 0.46628 0.00540
O6 -0.10350 0.20977 0.78439 0.00709
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0003773
