#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/51/9015192.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_9015192
loop_
_publ_author_name
'Yamazaki, S.'
'Toraya, H.'
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = 1
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg Mn O4 Si'
_chemical_name_mineral           Tephroite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.45100
_cell_length_b                   6.12446
_cell_length_c                   4.80757
_cell_formula_units_Z            4
_cell_volume                     307.717
_database_code_amcsd             0019687
_exptl_crystal_density_diffrn    3.698
_cod_original_formula_sum        '(Mg Mn) Si O4'
_cod_database_code               9015192
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-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
Mg1 0.00000 0.00000 0.00000 0.70500 0.01191
Mn1 0.00000 0.00000 0.00000 0.29500 0.01191
MgM2 0.27910 0.25000 0.98790 0.29500 0.00988
MnM2 0.27910 0.25000 0.98790 0.70500 0.00988
Si 0.09280 0.25000 0.42430 1.00000 0.00760
O1 0.08900 0.25000 0.75720 1.00000 0.01229
O2 0.45160 0.25000 0.22610 1.00000 0.01001
O3 0.16070 0.03920 0.27820 1.00000 0.01039
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019687
