#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$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
_chemical_name 'Triphylite'
loop_
_publ_author_name
'Losey A'
'Rakovan J F'
'Hughes J M'
'Francis C A'
'Dyar M D'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 42
_journal_year 2004
_journal_page_first 1105
_journal_page_last 1115
_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
;
_chemical_formula_sum 'Li Mn.089 Mg.234 Fe.687 P O4'
_cell_length_a 4.6904
_cell_length_b 10.2855
_cell_length_c 5.9871
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 288.836
_symmetry_space_group_name_H-M 'P b n m'
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_Uiso_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