#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/12/9001288.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_9001288
loop_
_publ_author_name
'Armbruster, T.'
'Rothlisberger, F.'
_publ_section_title
;
 Crystal growth and structures of mixed-anion silicates-germanates:
 Ca5[(Ge,Si)2O7][(Ge,Si)O4] and Na2Ca6[Si2O7][SiO4]2
 sample Ca5Ge2.23Si.77O11
;
_journal_name_full               'American Mineralogist'
_journal_page_first              963
_journal_page_last               969
_journal_volume                  75
_journal_year                    1990
_chemical_formula_sum            'Ca5 Ge2.23 O11 Si0.77'
_chemical_name_mineral           Melilite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.87
_cell_angle_gamma                90
_cell_length_a                   10.912
_cell_length_b                   8.695
_cell_length_c                   11.000
_cell_formula_units_Z            4
_cell_volume                     1036.185
_database_code_amcsd             0001318
_exptl_crystal_density_diffrn    3.589
_cod_original_formula_sum        '(Ge2.23 Si.77) Ca5 O11'
_cod_database_code               9001288
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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
_atom_site_occupancy
Ge1 0.56060 0.00000 0.27090 0.73000
Si1 0.56060 0.00000 0.27090 0.27000
Ge2 0.81060 0.00000 0.46310 0.81000
Si2 0.81060 0.00000 0.46310 0.19000
Ge3 0.79470 0.00000 0.01770 0.69000
Si3 0.79470 0.00000 0.01770 0.31000
Ca1 -0.01620 0.00000 0.24970 1.00000
Ca2 0.27010 0.18760 0.24360 1.00000
Ca3 0.00000 0.28900 0.00000 1.00000
Ca4 0.50000 0.17680 0.50000 1.00000
O1 0.41870 0.00000 0.32340 1.00000
O2 0.85360 0.15400 0.10350 1.00000
O3 0.87010 0.15460 0.39250 1.00000
O4 0.85700 0.00000 0.87950 1.00000
O5 0.64900 0.00000 0.42080 1.00000
O6 0.16480 0.00000 0.38130 1.00000
O7 0.85940 0.50000 0.02670 1.00000
O8 0.58890 0.82810 0.20700 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001318
