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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/48/9004883.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_9004883
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: Trip50
;
_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        'BB#7 Quarry, Norway, Maine'
_chemical_formula_sum            'Fe0.503 Li Mn0.497 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                   4.7138
_cell_length_b                   10.3826
_cell_length_c                   6.0499
_cell_formula_units_Z            4
_cell_volume                     296.091
_database_code_amcsd             0005978
_exptl_crystal_density_diffrn    3.529
_cod_original_formula_sum        'Li (Mn.497 Fe.503) P O4'
_cod_database_code               9004883
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 0.01900
Mn 0.97362 0.28199 0.25000 0.49700 0.00752
Fe 0.97362 0.28199 0.25000 0.50300 0.00752
P 0.41380 0.09364 0.25000 1.00000 0.00823
O1 0.73660 0.09690 0.25000 1.00000 0.01191
O2 0.20890 0.45620 0.25000 1.00000 0.01165
O3 0.28130 0.16350 0.04780 1.00000 0.01229
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005978
