#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/20/9002025.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_9002025
loop_
_publ_author_name
'Nakatsuka, A.'
'Yoshiasa, A.'
'Yamanaka, T.'
'Ito, E.'
_publ_section_title
;
 Structure refinement of birefringent Cr-bearing majorite
 Mg3(Mg.34Si.34Al.18Cr.14)2Si3O12
;
_journal_name_full               'American Mineralogist'
_journal_page_first              199
_journal_page_last               202
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.36 Cr0.28 Mg3.68 O12 Si4.68'
_chemical_name_mineral           Majorite
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.512
_cell_length_b                   11.512
_cell_length_c                   11.515
_cell_formula_units_Z            8
_cell_volume                     1526.039
_exptl_crystal_density_diffrn    3.805
_cod_original_cell_volume        1526.038
_cod_original_formula_sum        'Si4.68 Mg3.68 Al.36 Cr.28 O12'
_cod_database_code               9002025
loop_
_symmetry_equiv_pos_as_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_occupancy
Si1 0.50000 0.25000 0.37500 1.00000
Si2 0.50000 0.25000 0.87500 1.00000
Si3 -0.37490 0.00010 0.74970 1.00000
MgX1 0.12500 -0.00030 0.24970 1.00000
MgX2 0.00000 0.25000 0.62460 1.00000
MgY1 0.50000 0.00000 0.50000 0.34000
SiY1 0.50000 0.00000 0.50000 0.34000
AlY1 0.50000 0.00000 0.50000 0.18000
CrY1 0.50000 0.00000 0.50000 0.14000
MgY2 0.50000 0.00000 0.00000 0.34000
SiY2 0.50000 0.00000 0.00000 0.34000
AlY2 0.50000 0.00000 0.00000 0.18000
CrY2 0.50000 0.00000 0.00000 0.14000
O1 0.03310 0.05030 0.65470 1.00000
O2 0.03260 -0.05100 0.84540 1.00000
O3 0.21730 0.09550 0.80000 1.00000
O4 0.21720 -0.09610 0.70000 1.00000
O5 -0.05110 0.15460 0.46790 1.00000
O6 -0.09510 0.19890 0.78190 1.00000
_database_code_amcsd 0002087
