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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/72/1007213.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_1007213
loop_
_publ_author_name
'Averbuch-Pouchot, M - T'
'Durif, A'
_publ_section_title
;
Preparation chimique et etude structurale d'un nouveau triphosphate:
Be₂RbP₃O₁₀
;
_journal_coden_ASTM              CRAMED
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_page_first              609
_journal_page_last               614
_journal_volume                  316
_journal_year                    1993
_chemical_formula_structural     'Be2 Rb (P3 O10)'
_chemical_formula_sum            'Be2 O10 P3 Rb'
_chemical_name_systematic        'Diberyllium rubidium triphosphate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.32(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.177(8)
_cell_length_b                   8.703(5)
_cell_length_c                   8.910(5)
_cell_volume                     838.9
_refine_ls_R_factor_all          0.017
_cod_database_code               1007213
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-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
Rb1 Rb1+ 4 e 0. 0.30010(3) 0.25 1. 0 d
P1 P5+ 8 f 0.18251(3) 0.68555(4) 0.24581(4) 1. 0 d
P2 P5+ 4 e 0. 0.11798(6) 0.75 1. 0 d
Be1 Be2+ 8 f 0.2437(2) 0.4564(2) 0.0620(2) 1. 0 d
O1 O2- 8 f 0.1705(1) 0.4318(1) 0.8617(1) 1. 0 d
O2 O2- 8 f 0.22430(9) 0.3108(1) 0.1636(1) 1. 0 d
O3 O2- 8 f 0.3049(1) 0.1154(1) 0.3996(1) 1. 0 d
O4 O2- 8 f 0.45115(9) 0.2719(1) 0.3478(1) 1. 0 d
O5 O2- 8 f 0.10564(9) 0.9734(1) 0.3764(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Rb1+ 1.000
P5+ 5.000
Be2+ 2.000
O2- -2.000
