#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/39/9013972.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_9013972
loop_
_publ_author_name
'Jorgensen, J. E.'
'Rasmussen, S. E.'
_publ_section_title
;
 Refinement of the structure of MnSi by powder diffraction
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              194
_journal_page_last               195
_journal_paper_doi               10.1017/S0885715600017504
_journal_volume                  6
_journal_year                    1991
_chemical_formula_structural     MnSi
_chemical_formula_sum            'Mn Si'
_chemical_name_mineral           Brownleeite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.55643
_cell_length_b                   4.55643
_cell_length_c                   4.55643
_cell_formula_units_Z            4
_cell_volume                     94.596
_database_code_amcsd             0015315
_exptl_crystal_density_diffrn    5.830
_cod_database_code               9013972
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn 0.13810 0.13810 0.13810 0.00800
Si 0.84620 0.84620 0.84620 0.01600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015315
