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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/39/1533905.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_1533905
loop_
_publ_author_name
'Orishchin, S.V.'
'Kuz'ma, Yu.B.'
'Guerin, P.'
'Zhak, O.V.'
'Deputier, S.'
_publ_section_title
;
 Structure of Mo2.0-x Ni1.0+x P (x=0.2) and some crystal-chemical features
 of ternary phases in the Mo - Ni - P system
;
_journal_name_full               'Neorganicheskie Materialy'
_journal_page_first              1415
_journal_page_last               1422
_journal_volume                  38
_journal_year                    2002
_chemical_formula_sum            'Mo1.812 Ni1.188 P'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'I -2y'
_symmetry_space_group_name_H-M   'I 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.538
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.4036
_cell_length_b                   8.4055
_cell_length_c                   4.7357
_cell_volume                     413.976
_citation_journal_id_ASTM        NMATEI
_cod_data_source_file            Orishchin_NMATEI_2002_566.cif
_cod_data_source_block           Mo1.812Ni1.188P1
_cod_original_cell_volume        413.9758
_cod_original_sg_symbol_Hall     'C -2y (x,y,-x+z)'
_cod_original_formula_sum        'Mo1.812 Ni1.188 P1'
_cod_database_code               1533905
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,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
Mo6 Mo 0.7479 0.2615 0.747 0.7 0.0
Ni3 Ni 0.6519 0.1419 0.251 1 0.0
P3 P 0.496 0.2269 0.981 1 0.0
Ni4 Ni 0.3255 0.1603 0.773 1 0.0
Mo4 Mo 0.429 0 0.291 1 0.0
Mo3 Mo 0.8646 0 0.493 1 0.0
Mo5 Mo 0 0.167 0 1 0.0
P2 P 0.822 0 0.001 1 0.0
Mo2 Mo 0.122 0 0.509 0.85 0.0
Mo1 Mo 0.5811 0 0.736 1 0.0
P1 P 0.224 0 0.015 1 0.0
Ni1 Ni 0.122 0 0.509 0.15 0.0
Ni2 Ni 0.7479 0.2615 0.747 0.3 0.0
