#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/68/9006821.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_9006821
loop_
_publ_author_name
'Millard, R. L.'
'Peterson, R. C.'
'Swainson, I. P.'
_publ_section_title
;Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8:
 chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4
 olivine Sample: RLM812, beta-Mg3Ga2GeO8 spinelloid, quenched from T = 1350 C
 Locality: synthetic
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              179
_journal_page_last               193
_journal_paper_doi               10.1007/s002690050006
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     Mg3Ga2GeO8
_chemical_formula_sum            'Ga Ge0.5 Mg1.5 O4'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8236
_cell_length_b                   11.8162
_cell_length_c                   8.3304
_cell_volume                     573.238
_exptl_crystal_density_diffrn    4.785
_exptl_crystal_thermal_history   'quenched from T = 1350 C'
_cod_original_formula_sum        'Mg1.5 Ga Ge.5 O4'
_cod_database_code               9006821
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,-y,1/2+z
-x,1/2+y,-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+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_occupancy
_atom_site_U_iso_or_equiv
MgM1 0.00000 0.00000 0.00000 0.50000 0.00355
GaM1 0.00000 0.00000 0.00000 0.50000 0.00355
MgM2 0.00000 0.25000 0.97600 0.96000 0.00355
GaM2 0.00000 0.25000 0.97600 0.04000 0.00355
MgM3 0.25000 0.12910 0.25000 0.77000 0.00355
GaM3 0.25000 0.12910 0.25000 0.23000 0.00355
GaT 0.00000 0.11620 0.61860 0.50000 0.00380
GeT 0.00000 0.11620 0.61860 0.50000 0.00380
O1 0.00000 0.25000 0.22650 1.00000 0.00583
O2 0.00000 0.25000 0.73490 1.00000 0.00583
O3 0.00000 0.00590 0.24910 1.00000 0.00583
O4 0.24230 0.12270 0.00270 1.00000 0.00583