#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/42/1524250.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_1524250
loop_
_publ_author_name
'Deganello, S.'
_publ_section_title
;
 The crystal structure of triphylite after oxidation at 670 C
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              128
_journal_page_last               134
_journal_volume                  1978
_journal_year                    1978
_chemical_formula_sum            'Fe0.79 Li0.91 Mn0.21 O4 P'
_chemical_name_systematic        'Li0.91 (Fe0.79 Mn0.21) (P O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.322
_cell_length_b                   6.013
_cell_length_c                   4.708
_cell_volume                     292.208
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Deganello_NJMMAW_1978_202.cif
_cod_data_source_block           Fe0.79Li0.91Mn0.21O4P1
_cod_original_cell_volume        292.2076
_cod_original_formula_sum        'Fe0.79 Li0.91 Mn0.21 O4 P1'
_cod_database_code               1524250
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Mn1 Mn+2 0.2825 0.25 0.0286 0.21 0.0
Fe2 Fe+2 0.2825 0.25 0.0286 0.387 0.0
P1 P+5 0.092 0.25 -0.412 1 0.0
Fe1 Fe+2 0.2825 0.25 0.0286 0.403 0.0
O3 O-2 0.166 0.045 -0.285 1 0.0
O2 O-2 0.453 0.25 -0.202 1 0.0
Li1 Li+1 0 0 0 0.91 0.0
O1 O-2 0.086 0.25 0.251 1 0.0
