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#$Date: 2015-10-13 11:55:57 +0300 (Tue, 13 Oct 2015) $
#$Revision: 166994 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538444.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_1538444
loop_
_publ_author_name
'Orishchin, S.V.'
'Guerin, R.'
'Zhak, O.V.'
'Deputier, S.'
'le Senechal, C.'
_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            'Mn12 P7 Zr2'
_chemical_name_systematic        'Zr2 Mn12 P7'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.348
_cell_length_b                   9.348
_cell_length_c                   3.5755
_cell_volume                     270.586
_citation_journal_id_ASTM        NMATEI
_cod_data_source_file            Orishchin_NMATEI_2004_563.cif
_cod_data_source_block           Mn12P7Zr2
_cod_original_cell_volume        270.5857
_cod_database_code               1538444
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
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
Mn1 Mn 0.4315 0.0472 0.25 1 0.0
Mn2 Mn 0.1293 0.2253 0.25 0.5 0.0
Mn3 Mn 0.8368 0.7199 0.75 0.5 0.0
P1 P 0.4214 0.2892 0.25 1 0.0
P2 P 0 0 0.75 0.5 0.0
Zr1 Zr 0.3333 0.6667 0.25 1 0.0
