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#$Date: 2016-11-14 04:23:27 +0200 (Mon, 14 Nov 2016) $
#$Revision: 188423 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/46/9014630.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_9014630
loop_
_publ_author_name
'Fujino, K.'
'Sasaki, S.'
'Takeuchi, Y.'
'Sadanaga, R.'
_publ_section_title
;
 X-ray determination of electron distributions in forsterite, fayalite and tephroite
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              513
_journal_page_last               518
_journal_paper_doi               10.1107/S0567740881003506
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn2 O4 Si'
_chemical_name_mineral           Tephroite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9023
_cell_length_b                   10.5964
_cell_length_c                   6.2567
_cell_volume                     325.015
_database_code_amcsd             0019695
_exptl_crystal_density_diffrn    4.127
_cod_original_formula_sum        'Mn2 Si O4'
_cod_database_code               9014630
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn1 0.00000 0.00000 0.00000 0.00785
Mn2 0.98792 0.28041 0.25000 0.00673
Si 0.42755 0.09643 0.25000 0.00484
O1 0.75776 0.09363 0.25000 0.00680
O2 0.21088 0.45369 0.25000 0.00686
O3 0.28706 0.16384 0.04140 0.00733