#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/81/1008106.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008106
_chemical_name_systematic
;
Molybdenum manganese silicide carbide (1/4/1/1)
;
_chemical_formula_structural       'Mo Mn4 Si C'
_chemical_formula_sum              'Mn4 Mo Si'
_publ_section_title                'Structure de Mn~5~ Si C'
loop_
_publ_author_name
  'Spinat, P'
  'Fruchart, R'
  'Kabbani, M'
  'Herpin, P'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    93
_journal_year                      1970
_journal_page_first                171
_journal_page_last                 184
_cell_length_a                     10.198
_cell_length_b                     8.035
_cell_length_c                     7.63
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       625.2
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C m c 21'
_symmetry_Int_Tables_number        36
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '-x,-y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo0    0.000
  Mn0    0.000
  Si0    0.000
  C0     0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mo1   Mo0    8 b 0.1404 0.3326 0.3468 0.5  0 d
  Mo2   Mo0    8 b 0.1466 0.3373 0. 0.5  0 d
  Mn1   Mn0    8 b 0.1404 0.3326 0.3468 0.5  0 d
  Mn2   Mn0    4 a 0. 0.4456 0.6284 1.  0 d
  Mn3   Mn0    4 a 0. 0.1156 0.1195 1.  0 d
  Mn4   Mn0    8 b 0.1269 0.0046 0.4143 1.  0 d
  Mn5   Mn0    8 b 0.1227 0.1792 0.6194 1.  0 d
  Mn6   Mn0    8 b 0.1466 0.3373 0. 0.5  0 d
  Si1   Si0    8 b 0.2575 0.0834 0.216 1.  0 d
  C1    C0     4 a 0. 0.188 0.47 1.  0 d
  C2    C0     4 a 0. 0.188 0.906 1.  0 d
_refine_ls_R_factor_all            0.1
_cod_database_code 1008106