#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/40/1524088.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_1524088
loop_
_publ_author_name
'Boller, H.'
'Nowotny, H.'
_publ_section_title
;
 Kristallchemische Untersuchungen an Monophosphiden und -arseniden in den
 Systemen Ti - (Cr, Mo, W) - (P, As)
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              852
_journal_page_last               862
_journal_volume                  96
_journal_year                    1965
_chemical_formula_sum            'Cr P2 Ti'
_chemical_name_systematic        '(Cr Ti) P2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.357
_cell_length_b                   3.357
_cell_length_c                   5.899
_cell_volume                     57.572
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Boller_MOCHAP_1965_1355.cif
_cod_data_source_block           Cr1P2Ti1
_cod_original_cell_volume        57.57206
_cod_original_formula_sum        'Cr1 P2 Ti1'
_cod_database_code               1524088
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
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-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
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,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
Ti1 Ti+3 0 0 0 0.5 0.0
Cr1 Cr+3 0 0 0 0.5 0.0
P1 P-3 0.3333 0.6667 0.25 1 0.0
