#------------------------------------------------------------------------------
#$Date: 2015-10-13 10:56:23 +0200 (Tue, 13 Oct 2015) $
#$Revision: 166995 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/84/1538445.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_1538445
loop_
_publ_author_name
'Orishchin, S.V.'
'Zhak, O.V.'
'le Senechal, C.'
'Deputier, S.'
'Guerin, R.'
_publ_section_title
;
 Crystal structures of Zr2 Mn12 P7 and (Mo, Mn)12 P7
;
_journal_name_full               'Neorganicheskie Materialy'
_journal_page_first              709
_journal_page_last               715
_journal_volume                  40
_journal_year                    2004
_chemical_formula_sum            'Mn5.46 Mo6.54 P7'
_chemical_name_systematic        'Mo6.54 Mn5.46 P7'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.3242
_cell_length_b                   9.3242
_cell_length_c                   3.3807
_cell_volume                     254.543
_citation_journal_id_ASTM        NMATEI
_cod_data_source_file            Orishchin_NMATEI_2004_564.cif
_cod_data_source_block           Mn5.46Mo6.54P7
_cod_original_cell_volume        254.5426
_cod_database_code               1538445
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P1 P 0 0 0 1 0.0
Mn2 Mn 0.0158 0.2594 0 1 0.0
Mo1 Mo 0.3738 0.5075 0 1 0.0
Mn3 Mn 0.2086 0.1946 0.5 0.56 0.0
Mo3 Mo 0.2086 0.1946 0.5 0.44 0.0
P3 P 0.4411 0.2836 0 1 0.0
Mo2 Mo 0.5094 0.1381 0.5 0.74 0.0
Mn1 Mn 0.5094 0.1381 0.5 0.26 0.0
P2 P 0.1597 0.4445 0.5 1 0.0
