#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016136.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_9016136
loop_
_publ_author_name
'Lipp, C.'
'Burns, P. C.'
_publ_section_title
;
 Th2[BO4][PO4]: a rare example of an actinide borate-phosphate
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1211
_journal_page_last               1220
_journal_paper_doi               10.3749/canmin.49.5.1211
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B O8 P Th2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.746
_cell_angle_gamma                90
_cell_length_a                   8.4665
_cell_length_b                   7.9552
_cell_length_c                   8.2297
_cell_formula_units_Z            4
_cell_volume                     538.417
_database_code_amcsd             0018624
_exptl_crystal_density_diffrn    7.820
_cod_original_formula_sum        'Th2 B P O8'
_cod_database_code               9016136
_amcsd_formula_title             Th2[BO4][PO4]
loop_
_space_group_symop_operation_xyz
x,y,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
Th1 0.18301 0.69330 0.04140 ?
Th2 0.24191 0.31714 0.42356 ?
B 0.03260 0.05700 0.21880 0.00630
P 0.54340 0.45380 0.21670 ?
O1 0.05640 0.89330 0.15560 ?
O2 0.08920 0.06730 0.40330 ?
O3 0.10880 0.19910 0.14870 ?
O4 0.14620 0.58740 0.32310 ?
O5 0.63150 0.31140 0.15410 ?
O6 0.42940 0.12630 0.35220 ?
O7 0.39020 0.95110 0.09310 ?
O8 0.35780 0.42290 0.17250 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018624
