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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001341.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001341
loop_
_publ_author_name
'Cousson, A'
'Abazli, H'
'Jove, J'
'Gasperin, M'
_publ_section_title
;
Synthese et etude structurale des composes Co Np₂ F₁₀ (H₂ O)₈
et Cu Np₂ F₁₀ (H₂ O)₆
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              155
_journal_page_last               168
_journal_paper_doi               10.1016/0022-5088(85)90115-8
_journal_volume                  109
_journal_year                    1985
_chemical_formula_structural     'Cu Np2 F10 (H2 O)6'
_chemical_formula_sum            'Cu F10 H12 Np2 O6'
_chemical_name_systematic        'Copper dineptunium decafluoride hexahydrate'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.63
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.043(4)
_cell_length_b                   7.128(2)
_cell_length_c                   8.593(2)
_cell_volume                     1158.6
_refine_ls_R_factor_all          0.029
_cod_original_formula_sum        'H12 Cu F10 Np2 O6'
_cod_database_code               1001341
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Np1 Np4+ 4 g 0.21968(1) 0.09221(2) 0.31504(1) 1. 0 d
Cu1 Cu2+ 2 d 0. 0.5 0. 1. 0 d
F1 F1- 4 g 0.8101(1) 0.3233(3) 0.01400(3) 1. 0 d
F2 F1- 4 g 0.2013(1) 0.0448(3) 0.05167(3) 1. 0 d
F3 F1- 4 g 0.1854(1) 0.3894(3) 0.18798(3) 1. 0 d
F4 F1- 4 g 0.8962(1) 0.0885(4) 0.21719(4) 1. 0 d
F5 F1- 4 g 0.3070(1) 0.2754(3) 0.22427(3) 1. 0 d
O1 O2- 2 a 0. 0. 0. 1. 2 d
O2 O2- 4 g 0.4218(2) 0.1628(7) 0.05022(4) 1. 2 d
O3 O2- 4 g 0.5654(2) 0.1804(6) 0.10594(4) 1. 2 d
O4 O2- 2 e 0. 0.3451(6) 0.25 1. 2 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Np4+ 4.000
Cu2+ 2.000
F1- -1.000
O2- -2.000
H1+ 1.000
