#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/28/9012895.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_9012895
loop_
_publ_author_name
'Barbier, J.'
'Greedan, J. E.'
'Asaro, T.'
'McCarthy, G. J.'
_publ_section_title
;
 Neutron diffraction study of disorder in eulytite-type Sr3La(PO4)3
 Sample: T = 298 K
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              855
_journal_page_last               867
_journal_volume                  27
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     Sr3La(PO4)3
_chemical_formula_sum            'La O12 P3 Sr3'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1853
_cell_length_b                   10.1853
_cell_length_c                   10.1853
_cell_formula_units_Z            4
_cell_volume                     1056.626
_database_code_amcsd             0012536
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    4.317
_cod_original_formula_sum        '(Sr3 La) P3 O12'
_cod_database_code               9012895
_amcsd_formula_title             Sr3La(PO4)3
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-z,x,-y
-z,1/2+x,1/2-y
1/2-y,z,-x
-y,1/2+z,1/2-x
1/2-x,y,-z
-x,1/2+y,1/2-z
1/4+x,3/4-z,1/4-y
3/4+x,1/4-z,3/4-y
1/4+z,3/4-y,1/4-x
3/4+z,1/4-y,3/4-x
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4+x,1/4+z,1/4+y
3/4+x,3/4+z,3/4+y
1/4+z,1/4+y,1/4+x
3/4+z,3/4+y,3/4+x
1/4+y,1/4+x,1/4+z
3/4+y,3/4+x,3/4+z
-z,1/2-x,y
1/2-z,-x,1/2+y
-y,1/2-z,x
1/2-y,-z,1/2+x
-x,1/2-y,z
1/2-x,-y,1/2+z
1/2+z,1/2-x,-y
+z,-x,1/2-y
1/2+y,1/2-z,-x
+y,-z,1/2-x
1/2+x,1/2-y,-z
+x,-y,1/2-z
3/4-x,3/4+z,1/4-y
1/4-x,1/4+z,3/4-y
3/4-z,3/4+y,1/4-x
1/4-z,1/4+y,3/4-x
3/4-y,3/4+x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-x,1/4-z,1/4+y
1/4-x,3/4-z,3/4+y
3/4-z,1/4-y,1/4+x
1/4-z,3/4-y,3/4+x
3/4-y,1/4-x,1/4+z
1/4-y,3/4-x,3/4+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
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
SrM 0.05920 0.05920 0.05920 0.75000 0.02799
LaM 0.05920 0.05920 0.05920 0.25000 0.02799
P 0.37500 0.00000 0.25000 1.00000 0.02862
O1 0.05330 0.13000 0.30230 0.33333 0.04382
O2 0.97000 0.13180 0.28310 0.33333 0.02710
O3 0.08910 0.33530 0.45060 0.33333 0.02888
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012536
