#------------------------------------------------------------------------------
#$Date: 2015-09-17 02:05:48 +0200 (jue 17 de sep de 2015) $
#$Revision: 156362 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/10/1531049.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_1531049
loop_
_publ_author_name
'Aatiq, A.'
'Menetrier, M.'
'El Jazouli, A.'
'Delmas, C.'
_publ_section_title
;
 Structural and lithium intercalation studies of Mn0.5-x Cax Ti2 (P O4)3
 phases (0 <= x <= 0.5)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              391
_journal_page_last               405
_journal_volume                  150
_journal_year                    2002
_chemical_formula_sum            'Ca0.25 Mn0.25 O12 P3 Ti2'
_chemical_name_systematic        'Mn0.25 Ca0.25 Ti2 (P O4)3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.425
_cell_length_b                   8.425
_cell_length_c                   21.576
_cell_volume                     1326.299
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Aatiq_SSIOD3_2002_854.cif
_cod_data_source_block           Ca0.25Mn0.25O12P3Ti2
_cod_database_code               1531049
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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+2 0 0 0 0.5 0.0
Ti2 Ti+4 0 0 0.6395 1 0.0
O4 O-2 0.95 0.152 0.3089 1 0.0
Ca1 Ca+2 0 0 0 0.5 0.0
O1 O-2 0.179 0.179 0.0853 1 0.0
O2 O-2 0.145 0.201 0.4097 1 0.0
O3 O-2 0.188 0.997 0.1903 1 0.0
P1 P+5 0.2891 0.007 0.2522 1 0.0
Ti1 Ti+4 0 0 0.1476 1 0.0
