#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008988.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_1008988
_chemical_name_systematic          'Manganese vanadium arsenide (1/1/1)'
_chemical_formula_structural       'Mn V As'
_chemical_formula_sum              'As Mn V'
_publ_section_title
;
Nouveaux composes ternaires MM'P et MM'As. Interactions metalliques et
structures
;
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m S'
loop_
_publ_author_name
  'Montreuil, R'
  'Deyris, B'
  'Michel, A'
  'Rouault, A'
  'l'Heritier, P'
  'Nylund, A'
  'Senateur, J P'
  'Fruchart, D'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    7
_journal_year                      1972
_journal_page_first                813
_journal_page_last                 826
_cell_length_a                     3.722(3)
_cell_length_b                     3.722
_cell_length_c                     6.483(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       89.8
_cell_formula_units_Z              2
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '-y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  '1/2+y,1/2-x,z'
  'y,x,-z'
  '-y,-x,-z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn0    0.000
  V0     0.000
  As0    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
  Mn1   Mn0    2 c 0. 0.5 0.351 1.  0 d
  V1    V0     2 a 0. 0. 0. 1.  0 d
  As1   As0    2 c 0. 0.5 0.727 1.  0 d
_refine_ls_R_factor_all            0.052