#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/40/9004039.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_9004039
loop_
_publ_author_name
'Forbes, T. Z.'
'Burns, P. C.'
_publ_section_title
;Ba(NpO2)(PO4)(H2O), its relationship to the uranophane group, and
 implications for Np incorporation in uranyl minerals
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1089
_journal_page_last               1093
_journal_paper_doi               10.2138/am.2006.2132
_journal_volume                  91
_journal_year                    2006
_chemical_formula_structural     Ba(NpO2)(PO4)(H2O)
_chemical_formula_sum            'Ba H2 Np O7 P'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.02
_cell_angle_gamma                90
_cell_length_a                   6.905
_cell_length_b                   7.108
_cell_length_c                   13.321
_cell_formula_units_Z            4
_cell_volume                     631.468
_database_code_amcsd             0004163
_exptl_crystal_density_diffrn    5.462
_cod_original_formula_sum        'Ba Np P O7 H2'
_cod_database_code               9004039
_amcsd_formula_title             Ba(NpO2)(PO4)(H2O)
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-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
Ba 0.21540 0.44010 0.14330 0.01600
Np 0.70310 0.76430 0.17660 0.01000
P 0.84300 0.77920 0.42260 0.01100
O1 0.71880 0.09990 0.14510 0.01400
O2 0.63830 0.43210 0.16080 0.01300
O3 0.81810 0.33730 0.02640 0.01600
O4 0.94870 0.71230 0.69730 0.01600
O5 0.55400 0.74340 0.99610 0.01600
O6 0.96200 0.72960 0.16520 0.01900
O7 0.15970 0.06140 0.12510 0.03800
H7A 0.23200 0.95700 0.10100 0.05000
H7B 0.18400 0.07900 0.07000 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004163
