##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Rubidium manganese arsenate(1;6;7)
;
_chemical_name_common     RbMn~6~(As~2~O~7~)~2~(As~3~O~10~)
_chemical_formula_sum     'As7 Mn6 O24 Rb'
_chemical_formula_structural     'Rb Mn6 (As2 O7)2 (As3 O10)'
_chemical_formula_weight     1323.53
_chemical_melting_point     ?
_symmetry_cell_setting     'monoclinic'
_symmetry_space_group_name_H-M     'P21/m'
_symmetry_space_group_name_Hall     '-P 2yb'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z'
    '-x, -y, -z'
    'x, -y-1/2, z'
_cell_length_a     5.5550(10)
_cell_length_b     27.830(9)
_cell_length_c     6.842(2)
_cell_angle_alpha     90.00
_cell_angle_beta     107.56(2)
_cell_angle_gamma     90.00
_cell_volume     1008.5(5)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     1.46
_cell_measurement_theta_max     26.97
_cell_measurement_temperature     293(2)
_exptl_crystal_description     prismatic
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.1
_exptl_crystal_size_mid     0.05
_exptl_crystal_size_min     0.04
_exptl_crystal_density_diffrn     4.358
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1220
_exptl_absorpt_coefficient_mu     17.559
_exptl_absorpt_correction_type     'psi-scan'
_exptl_absorpt_process_details     '(North et al., 1968)'
_exptl_absorpt_correction_T_min     0.363
_exptl_absorpt_correction_T_max     0.495
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enarf--Nonius CAD-4'
_diffrn_measurement_method     \w/2\q
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     2461
_diffrn_reflns_av_R_equivalents     0.0789
_diffrn_reflns_av_sigmaI/netI     0.0561
_diffrn_reflns_theta_min     1.46
_diffrn_reflns_theta_max     26.97
_diffrn_reflns_theta_full     26.97
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     7
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     35
_diffrn_reflns_limit_l_min     -8
_diffrn_reflns_limit_l_max     8
_diffrn_standards_number     2
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_diffrn_standards_decay_%     0.4
loop_
    _diffrn_standard_refln_index_h
    _diffrn_standard_refln_index_k
    _diffrn_standard_refln_index_l
    -4 0 1
    -4 1 1
_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     2240
_reflns_number_gt     1726
_reflns_threshold_expression     I>2\s(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0632
_refine_ls_R_factor_gt     0.0371
_refine_ls_wR_factor_gt     0.0949
_refine_ls_wR_factor_ref     0.1106
_refine_ls_goodness_of_fit_ref     1.094
_refine_ls_restrained_S_all     1.094
_refine_ls_number_reflns     2240
_refine_ls_number_parameters     179
_refine_ls_number_restraints     0
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[\s^2^(Fo^2^)+(0.0524P)^2^+3.8056P] where P = (Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.576
_refine_diff_density_min     -1.467
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.0007(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'As' 'As' 0.0500 2.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mn' 'Mn' 0.3370 0.7280
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0110 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Rb' 'Rb' -0.9390 2.9680
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
               'CAD-4 Express (Duisenberg, 1992; Mac\'i\<cek & Yordanov, 1992) '
_computing_cell_refinement     'CAD-4 Express'
_computing_data_reduction     'Molen (Fair, 1990)'
_computing_structure_solution     'SHELXS86 (Sheldrick, 1990)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Diamond (Brandenburg, 1998)'
_computing_publication_material     'SHELXL97'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    As1 0.27497(14) 0.47698(3) 0.69774(12) 0.0063(2) Uani d . 1 . . As
    As2 0.68483(15) 0.38723(3) 0.87410(12) 0.0069(2) Uani d . 1 . . As
    As3 0.5271(2) 0.2500 0.56840(17) 0.0069(3) Uani d S 1 . . As
    As4 0.22919(14) 0.33587(3) 0.27565(12) 0.0067(2) Uani d . 1 . . As
    Rb 0.6964(2) 0.2500 0.10323(18) 0.0157(3) Uani d S 1 . . Rb
    Mn1 -0.1836(2) 0.54331(5) 0.82064(19) 0.0092(3) Uani d . 1 . . Mn
    Mn2 -0.2149(2) 0.40166(5) 0.40127(18) 0.0085(3) Uani d . 1 . . Mn
    Mn3 0.1078(2) 0.31554(4) 0.74999(18) 0.0085(3) Uani d . 1 . . Mn
    O1 0.8760(10) 0.4017(2) 0.1078(8) 0.0087(11) Uani d . 1 . . O
    O2 0.1082(11) 0.4523(2) 0.4749(9) 0.0106(12) Uani d . 1 . . O
    O3 0.4178(11) 0.52893(19) 0.6737(9) 0.0100(11) Uani d . 1 . . O
    O4 0.8293(15) 0.2500 0.7056(13) 0.0133(18) Uani d S 1 . . O
    O5 0.3887(11) 0.38634(19) 0.2693(9) 0.0106(12) Uani d . 1 . . O
    O6 0.8518(11) 0.3769(2) 0.7101(8) 0.0122(12) Uani d . 1 . . O
    O7 0.4942(11) 0.2986(2) 0.4071(9) 0.0138(12) Uani d . 1 . . O
    O8 0.0451(10) 0.3365(2) 0.4307(8) 0.0104(12) Uani d . 1 . . O
    O9 0.1132(11) 0.4800(2) 0.8687(9) 0.0117(12) Uani d . 1 . . O
    O10 0.1027(11) 0.3067(2) 0.0578(8) 0.0116(12) Uani d . 1 . . O
    O11 0.3127(15) 0.2500 0.6908(12) 0.0098(16) Uani d S 1 . . O
    O12 0.4812(11) 0.3433(2) 0.8713(10) 0.0160(13) Uani d . 1 . . O
    O13 0.5441(13) 0.4425(2) 0.7970(11) 0.0250(16) Uani d . 1 . . O
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    As1 0.0062(4) 0.0067(4) 0.0068(4) 0.0002(3) 0.0032(3) -0.0005(3)
    As2 0.0051(4) 0.0089(4) 0.0070(4) 0.0005(3) 0.0023(3) -0.0008(3)
    As3 0.0055(5) 0.0079(5) 0.0081(5) 0.000 0.0033(4) 0.000
    As4 0.0068(4) 0.0070(4) 0.0075(4) -0.0007(3) 0.0041(3) -0.0010(3)
    Rb 0.0164(6) 0.0182(6) 0.0150(6) 0.000 0.0084(5) 0.000
    Mn1 0.0083(6) 0.0112(6) 0.0091(6) 0.0005(5) 0.0043(5) 0.0019(5)
    Mn2 0.0075(6) 0.0106(6) 0.0086(6) -0.0005(5) 0.0044(5) 0.0006(5)
    Mn3 0.0095(6) 0.0088(6) 0.0083(6) 0.0010(5) 0.0042(5) -0.0003(5)
    O1 0.010(3) 0.010(3) 0.007(3) -0.001(2) 0.003(2) 0.002(2)
    O2 0.009(3) 0.013(3) 0.012(3) -0.003(2) 0.005(2) -0.002(2)
    O3 0.012(3) 0.004(3) 0.018(3) -0.001(2) 0.009(2) 0.000(2)
    O4 0.004(4) 0.022(5) 0.013(4) 0.000 0.001(3) 0.000
    O5 0.010(3) 0.003(3) 0.019(3) -0.002(2) 0.004(2) 0.000(2)
    O6 0.014(3) 0.018(3) 0.008(3) 0.003(2) 0.009(2) -0.002(2)
    O7 0.014(3) 0.010(3) 0.019(3) 0.008(2) 0.007(2) 0.008(2)
    O8 0.010(3) 0.015(3) 0.010(3) 0.008(2) 0.007(2) 0.006(2)
    O9 0.013(3) 0.013(3) 0.013(3) -0.001(2) 0.009(2) -0.002(2)
    O10 0.017(3) 0.012(3) 0.006(3) -0.005(2) 0.004(2) 0.000(2)
    O11 0.011(4) 0.014(4) 0.008(4) 0.000 0.008(3) 0.000
    O12 0.012(3) 0.017(3) 0.021(3) -0.007(2) 0.007(3) 0.000(3)
    O13 0.017(3) 0.016(3) 0.037(4) 0.012(3) -0.001(3) 0.003(3)
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    As1 O2 . 1.674(6) y
    As1 O9 . 1.679(6) y
    As1 O3 . 1.681(5) y
    As1 O13 . 1.733(6) y
    As2 O12 . 1.661(6) y
    As2 O1 1_556 1.680(5) y
    As2 O6 . 1.683(5) y
    As2 O13 . 1.734(6) y
    As3 O11 . 1.650(8) y
    As3 O4 . 1.658(8) y
    As3 O7 4_565 1.721(6) y
    As3 O7 . 1.721(6) n
    As4 O10 . 1.656(6) y
    As4 O5 . 1.668(5) y
    As4 O8 . 1.681(5) y
    As4 O7 . 1.803(6) y
    Rb O10 1_655 2.846(6) y
    Rb O10 4_665 2.846(6) n
    Rb O7 . 2.971(6) y
    Rb O7 4_565 2.971(6) n
    Rb O11 1_554 2.980(8) y
    Rb O4 1_554 3.026(8) y
    Rb O12 4_564 3.090(6) y
    Rb O12 1_554 3.090(6) n
    Rb O8 1_655 3.456(6) y
    Rb O8 4_665 3.456(6) n
    Mn1 O9 3_567 2.143(6) y
    Mn1 O3 1_455 2.175(6) y
    Mn1 O2 3_566 2.189(6) y
    Mn1 O1 3_666 2.235(6) y
    Mn1 O5 3_566 2.255(6) y
    Mn1 O9 . 2.366(6) y
    Mn2 O6 1_455 2.145(6) y
    Mn2 O5 1_455 2.156(6) y
    Mn2 O1 1_455 2.213(5) y
    Mn2 O2 . 2.217(6) y
    Mn2 O3 3_566 2.217(6) y
    Mn2 O8 . 2.289(6) y
    Mn3 O10 1_556 2.129(6) y
    Mn3 O12 . 2.134(6) y
    Mn3 O8 . 2.185(5) y
    Mn3 O6 1_455 2.186(6) y
    Mn3 O11 . 2.251(5) y
    Mn3 O4 1_455 2.351(5) y
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O2 As1 O9 . . 113.0(3) n
    O2 As1 O3 . . 114.3(3) n
    O9 As1 O3 . . 113.1(3) n
    O2 As1 O13 . . 107.7(3) n
    O9 As1 O13 . . 109.6(3) n
    O3 As1 O13 . . 97.9(3) n
    O12 As2 O1 . 1_556 114.9(3) n
    O12 As2 O6 . . 112.2(3) n
    O1 As2 O6 1_556 . 111.0(3) n
    O12 As2 O13 . . 113.9(3) n
    O1 As2 O13 1_556 . 100.0(3) n
    O6 As2 O13 . . 103.7(3) n
    O11 As3 O4 . . 118.4(4) n
    O11 As3 O7 . 4_565 111.9(2) n
    O4 As3 O7 . 4_565 104.9(3) n
    O11 As3 O7 . . 111.9(2) n
    O4 As3 O7 . . 104.9(3) n
    O7 As3 O7 4_565 . 103.7(4) n
    O10 As4 O5 . . 118.3(3) n
    O10 As4 O8 . . 113.5(3) n
    O5 As4 O8 . . 115.9(3) n
    O10 As4 O7 . . 103.2(3) n
    O5 As4 O7 . . 97.9(3) n
    O8 As4 O7 . . 104.6(3) n
    O10 Rb O7 1_655 . 107.67(17) n
    O10 Rb O7 4_665 . 143.95(16) n
    O10 Rb O7 1_655 4_565 143.95(16) n
    O10 Rb O7 4_665 4_565 107.67(17) n
    O10 Rb O11 1_655 1_554 105.12(17) n
    O10 Rb O11 4_665 1_554 105.12(17) n
    O7 Rb O11 . 1_554 110.44(17) n
    O7 Rb O11 4_565 1_554 110.44(17) n
    O7 Rb O4 . 1_554 151.10(12) n
    O7 Rb O4 4_565 1_554 151.10(12) n
    O10 Rb O12 1_655 4_564 127.33(16) n
    O7 Rb O12 . 4_564 124.96(17) n
    O10 Rb O12 4_665 1_554 127.33(16) n
    O7 Rb O12 4_565 1_554 124.96(17) n
    O12 Rb O12 4_564 1_554 114.4(2) n
    O10 Rb O8 4_665 1_655 98.57(15) n
    O7 Rb O8 4_565 1_655 96.89(15) n
    O11 Rb O8 1_554 1_655 135.62(9) n
    O4 Rb O8 1_554 1_655 109.98(14) n
    O12 Rb O8 4_564 1_655 166.54(15) n
    O10 Rb O8 1_655 4_665 98.57(15) n
    O7 Rb O8 . 4_665 96.89(15) n
    O11 Rb O8 1_554 4_665 135.62(9) n
    O4 Rb O8 1_554 4_665 109.98(14) n
    O12 Rb O8 1_554 4_665 166.54(15) n
    O9 Mn1 O3 3_567 1_455 105.0(2) n
    O9 Mn1 O2 3_567 3_566 154.8(2) n
    O3 Mn1 O2 1_455 3_566 92.0(2) n
    O9 Mn1 O1 3_567 3_666 95.3(2) n
    O3 Mn1 O1 1_455 3_666 146.3(2) n
    O9 Mn1 O5 3_567 3_566 117.4(2) n
    O3 Mn1 O9 1_455 . 119.8(2) n
    O1 Mn1 O9 3_666 . 91.4(2) n
    O5 Mn1 O9 3_566 . 163.2(2) n
    O6 Mn2 O5 1_455 1_455 101.6(2) n
    O6 Mn2 O1 1_455 1_455 151.0(2) n
    O5 Mn2 O1 1_455 1_455 96.0(2) n
    O6 Mn2 O2 1_455 . 95.3(2) n
    O5 Mn2 O2 1_455 . 151.1(2) n
    O6 Mn2 O3 1_455 3_566 115.6(2) n
    O1 Mn2 O3 1_455 3_566 91.6(2) n
    O5 Mn2 O8 1_455 . 114.7(2) n
    O2 Mn2 O8 . . 92.1(2) n
    O3 Mn2 O8 3_566 . 166.8(2) n
    O10 Mn3 O8 1_556 . 166.9(2) n
    O12 Mn3 O8 . . 97.8(2) n
    O10 Mn3 O6 1_556 1_455 90.7(2) n
    O12 Mn3 O6 . 1_455 106.5(2) n
    O10 Mn3 O11 1_556 . 104.0(2) n
    O6 Mn3 O11 1_455 . 162.9(3) n
    O12 Mn3 O4 . 1_455 148.9(2) n
    O8 Mn3 O4 . 1_455 100.2(3) n
    O6 Mn3 O4 1_455 1_455 102.3(2) n
data_global
_journal_date_recd_electronic     2004-02-05
_journal_date_accepted     2004-02-26
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue      4
_journal_page_first     i52
_journal_page_last     i54
_journal_paper_category     EI
_publ_contact_author_name     'Brahim, AYED'
_publ_contact_author_address
;
D\'epartament de chimie
Facult\'e des sciences de Monastir
5000 Monastir, Tunisie.
;
_publ_contact_author_email     brahimayed@yahoo.fr
_publ_contact_author_fax     '216 73 500 278'
_publ_contact_author_phone     '216 73 694 896'
_publ_section_title
;
RbMn~6~(As~2~O~7~)~2~(As~3~O~10~): a new manganese(II) arsenate
;
loop_
    _publ_author_name
    _publ_author_address
    'Ayed,Brahim'
;
D\'epartament de chimie
Facult\'e des sciences de Monastir
5000 Monastir, Tunisie
;
    'Haj Abbdallah,Anissa'
;
D\'epartament de chimie
Facult\'e des sciences de Monastir
5000 Monastir, Tunisie
;
    'Hadded,Amor'
;
D\'epartament de chimie
Facult\'e des sciences de Monastir
5000 Monastir, Tunisie
;

