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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/31/9013109.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_9013109
loop_
_publ_author_name
'Takemura, K.'
'Schwarz, U.'
'Syassen, K.'
'Christensen, N. E.'
'Hanfland, M.'
'Novikov, D. L.'
'Loa, I.'
_publ_section_title
;
 High-pressure structures of Ge above 100 GPa
 Locality: sytnthetic
 Sample: at P = 135 GPa
 Note: structure theoretically calculated based on experimental data
;
_journal_name_full               'Physica Status Solidi B'
_journal_page_first              385
_journal_page_last               390
_journal_paper_doi
10.1002/1521-3951(200101)223:2<385::AID-PSSB385>3.0.CO;2-E
_journal_volume                  223
_journal_year                    2001
_chemical_formula_sum            Ge
_chemical_name_common            Germanium
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.886
_cell_length_b                   4.656
_cell_length_c                   4.667
_cell_formula_units_Z            16
_cell_volume                     171.359
_diffrn_ambient_pressure         1.35e+08
_exptl_crystal_density_diffrn    11.258
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013109
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ge1 0.22100 0.00000 0.00000
Ge2 0.00000 0.17210 0.31380
_database_code_amcsd 0015111