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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/9/01/36/9013637.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_9013637
loop_
_publ_author_name
'Merlini, M.'
'Gemmi, M.'
'Hanfland, M.'
'Crichton, W.'
_publ_section_title
;
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 15 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              704
_journal_page_last               709
_journal_paper_doi               10.2138/am.2009.3072
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Mg O7 Si2'
_chemical_name_mineral           Akermanite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.570
_cell_length_b                   7.570
_cell_length_c                   4.781
_cell_formula_units_Z            2
_cell_volume                     273.975
_database_code_amcsd             0004934
_diffrn_ambient_pressure         1.5e+07
_exptl_crystal_density_diffrn    3.305
_cod_original_formula_sum        'Mg Ca2 Si2 O7'
_cod_database_code               9013637
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
y,-x,-z
1/2-x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,x,-z
1/2+x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.00000 0.00000 0.00000
Ca 0.33710 0.16290 0.50420
Si 0.14300 0.35700 0.93920
O1 0.00000 0.50000 -0.19800
O2 0.14210 0.35790 0.26800
O3 0.08070 0.18410 0.77400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004934