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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004885.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_9004885
loop_
_publ_author_name
'Losey A'
'Rakovan J F'
'Hughes J M'
'Francis C A'
'Dyar M D'
_publ_section_title
;
 Structural variation in the lithiophilite-triphylite series
 and other olivine-group structures
 Sample: Trip89
 Locality: G.E. Smith Quarry, Newport, New Hampshire
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1105
_journal_page_last               1115
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'Fe0.687 Li Mg0.234 Mn0.089 O4 P'
_[local]_cod_chemical_formula_sum_orig 'Li Mn.089 Mg.234 Fe.687 P O4'
_chemical_name_mineral           Triphylite
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6904
_cell_length_b                   10.2855
_cell_length_c                   5.9871
_cell_volume                     288.836
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Li 0.00000 0.00000 0.00000 1.00000 0.01963
Mn 0.97460 0.28164 0.25000 0.08900 0.00751
Mg 0.97460 0.28164 0.25000 0.23400 0.00751
Fe 0.97460 0.28164 0.25000 0.68700 0.00751
P 0.41690 0.09476 0.25000 1.00000 0.00747
O1 0.74120 0.09830 0.25000 1.00000 0.01051
O2 0.20550 0.45600 0.25000 1.00000 0.01026
O3 0.28270 0.16550 0.04650 1.00000 0.01064