#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/10/9011037.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_9011037
loop_
_publ_author_name
'Geller, S.'
'Durand, J. L.'
_publ_section_title
;
 Refinement of the structure of LiMnPO4
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              325
_journal_page_last               331
_journal_paper_doi               10.1107/S0365110X60002521
_journal_volume                  13
_journal_year                    1960
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li Mn O4 P'
_chemical_name_mineral           Lithiophilite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.10
_cell_length_b                   10.46
_cell_length_c                   4.744
_cell_formula_units_Z            4
_cell_volume                     302.696
_database_code_amcsd             0009238
_exptl_crystal_density_diffrn    3.442
_cod_original_formula_sum        'Li Mn P O4'
_cod_database_code               9011037
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,1/2+y,1/2-z
-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li 0.00000 0.00000 0.00000 0.01267
Mn 0.25000 0.28170 -0.02810 0.00279
P 0.25000 0.09230 0.40810 0.00051
O1 0.25000 0.09680 -0.26640 0.00646
O2 0.25000 0.45610 0.20730 0.00633
O3 0.04920 0.16090 0.27810 0.00595
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009238
