#------------------------------------------------------------------------------
#$Date: 2015-07-12 16:46:09 +0200 (Sun, 12 Jul 2015) $
#$Revision: 146905 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/58/1525842.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_1525842
loop_
_publ_author_name
'Lomnitskaya, Ya.F.'
'Chikhrii, S.I.'
'Kuz'ma, Yu.B.'
_publ_section_title
;
 The interaction of phosphorus with titanium and molybdenum
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              91
_journal_page_last               96
_journal_volume                  321
_journal_year                    2001
_chemical_formula_sum            'Mo6.8 P7 Ti4.52'
_chemical_name_systematic        '(Ti4.52 Mo6.8) 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                   9.6834
_cell_length_b                   9.6834
_cell_length_c                   3.3091
_cell_volume                     268.718
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Lomnitskaya_JALCEU_2001_1275.cif
_cod_data_source_block           Mo6.8P7Ti4.52
_cod_original_cell_volume        268.7177
_cod_database_code               1525842
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
Mo4 Mo 0.4977 0.1263 0.5 0.84 0.0
Ti3 Ti 0.0162 0.2599 0 0.73 0.0
Mo3 Mo 0.3698 0.504 0 0.85 0.0
P3 P 0.16 0.467 0.5 1 0.0
Mo1 Mo 0.0162 0.2599 0 0.27 0.0
Ti2 Ti 0.6667 0.3333 0.5 0.12 0.0
P1 P 0 0 0 1 0.0
Ti4 Ti 0.7759 0.0083 0.5 0.69 0.0
P2 P 0.435 0.254 0 1 0.0
Ti1 Ti 0.3333 0.6667 0 0.14 0.0
Mo2 Mo 0.7759 0.0083 0.5 0.31 0.0
