#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/28/9012851.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_9012851
loop_
_publ_author_name
'Locock, A. J.'
_publ_section_title
;
 Crystal chemistry of actinide phosphates and arsenates
;
_journal_name_full
'Structural Chemistry of Inorganic Actinide Compounds'
_journal_page_first              214
_journal_page_last               278
_journal_volume                  6
_journal_year                    2006
_chemical_formula_structural     U(PO3)4
_chemical_formula_sum            'O12 P4 U'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.0
_cell_angle_gamma                90
_cell_length_a                   11.51
_cell_length_b                   13.01
_cell_length_c                   8.15
_cell_formula_units_Z            4
_cell_volume                     877.899
_database_code_amcsd             0015625
_exptl_crystal_density_diffrn    4.191
_cod_original_formula_sum        'U P4 O12'
_cod_database_code               9012851
_amcsd_formula_title             U(PO3)4
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
U 0.04730 0.27920 -0.00090
P1 0.40450 0.11350 0.24000
P2 0.16480 0.11180 -0.53350
P3 -0.06880 0.11330 -0.47750
P4 0.68950 0.11400 0.74550
O1 -0.13600 0.15520 -0.12800
O2 -0.01350 0.19570 -0.33600
O3 0.80650 0.29870 0.19000
O4 0.14850 0.18770 0.30500
O5 -0.25350 0.00000 -0.24300
O6 -0.06350 0.00000 -0.40800
O7 0.74400 0.11500 0.31250
O8 0.14350 0.00000 0.36900
O9 0.30600 0.13020 -0.29200
O10 0.00150 0.10900 -0.60150
O11 0.64350 0.11770 0.88300
O12 0.42400 0.12820 0.08200
O13 0.58800 0.14300 0.49700
O14 0.38600 0.00000 0.27800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015625
