#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/48/9004884.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004884
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: Trip79
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1105
_journal_page_last               1115
_journal_paper_doi               10.2113/gscanmin.42.4.1105
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source        'Palermo #1 Quarry, Groton, New Hampshire'
_chemical_formula_sum            'Fe0.753 Li Mg0.056 Mn0.201 O4 P'
_chemical_name_mineral           Triphylite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_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                   4.7006
_cell_length_b                   10.341
_cell_length_c                   6.0166
_cell_formula_units_Z            4
_cell_volume                     292.460
_database_code_amcsd             0005979
_exptl_crystal_density_diffrn    3.551
_cod_original_formula_sum        'Li Mn.201 Mg.056 Fe.753 P O4'
_cod_database_code               9004884
loop_
_space_group_symop_operation_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 0.00988
Mn 0.97463 0.28200 0.25000 0.20100 0.00750
Mg 0.97463 0.28200 0.25000 0.05600 0.00750
Fe 0.97463 0.28200 0.25000 0.75300 0.00750
P 0.41640 0.09448 0.25000 1.00000 0.00531
O1 0.74020 0.09700 0.25000 1.00000 0.00925
O2 0.20620 0.45700 0.25000 1.00000 0.00823
O3 0.28360 0.16490 0.04720 1.00000 0.00874
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005979
