##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
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#                                                                            #
# This file may be used for bona fide research purposes within the           #
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data_I
_audit_creation_method     'SHELXL-2016/6'
_journal_date_recd_electronic     2018-07-05
_journal_date_accepted     2018-07-24
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2018
_journal_volume     74
_journal_issue      8
_journal_page_first     1155
_journal_page_last     1158
_journal_paper_category     GI
_journal_paper_doi     10.1107/S205698901801071X
_journal_coeditor_code     WM5454
_publ_contact_author_name     'Nour El Houda Lamsakhar'
_publ_contact_author_address
;
Laboratoire de Chimie Appliquée des Matériaux
Centre des Sciences des Matériaux
Faculty of Sciences
Mohammed V University in Rabat
Avenue Ibn Batouta
BP 1014
Rabat
Morocco
;
_publ_contact_author_email     nlamsakhar@gmail.com
_publ_contact_author_fax     '212 537 77 54 40'
_publ_contact_author_phone     '212 537 77 54 40'
_publ_section_title
;
Crystal structure of disilver(I) dizinc(II) iron(III) tris(orthovanadate) with
an alluaudite-type structure
;
loop_
    _publ_author_name
    _publ_author_address
    'Lamsakhar, Nour El Houda'
;
Laboratoire de Chimie Appliquée des Matériaux
Centre des Sciences des Matériaux
Faculty of Sciences
Mohammed V University in Rabat
Avenue Ibn Batouta
BP 1014
Rabat
Morocco
;
    'Zriouil, Mohammed'
;
Laboratoire de Chimie Appliquée des Matériaux
Centre des Sciences des Matériaux
Faculty of Sciences
Mohammed V University in Rabat
Avenue Ibn Batouta
BP 1014
Rabat
Morocco
;
    'Assani, Abderrazzak'
;
Laboratoire de Chimie Appliquée des Matériaux
Centre des Sciences des Matériaux
Faculty of Sciences
Mohammed V University in Rabat
Avenue Ibn Batouta
BP 1014
Rabat
Morocco
;
    'Saadi, Mohamed'
;
Laboratoire de Chimie Appliquée des Matériaux
Centre des Sciences des Matériaux
Faculty of Sciences
Mohammed V University in Rabat
Avenue Ibn Batouta
BP 1014
Rabat
Morocco
;
    'El Ammari, Lahcen'
;
Laboratoire de Chimie Appliquée des Matériaux
Centre des Sciences des Matériaux
Faculty of Sciences
Mohammed V University in Rabat
Avenue Ibn Batouta
BP 1014
Rabat
Morocco
;
_publ_section_synopsis
;
The transition metal orthovanadate, Ag₂Zn₂Fe(VO₄)₃, crystallizes in an
alluaudite-type structure. ZnII and FeIII atoms are statistically occupied
on one general site.
;
_chemical_name_systematic
;
Disilver(I) dizinc(II) iron(III) tris(orthovanadate)
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag2 Zn2 Fe O12 V3'
_chemical_formula_sum     'Ag2 Fe O12 V3 Zn2'
_chemical_formula_structural     'Ag2 Zn2 Fe (V O4)3'
_chemical_formula_iupac     'Ag2 Zn2 Fe (V O4)3'
_chemical_formula_weight     747.15
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     11.8025(2)
_cell_length_b     12.9133(2)
_cell_length_c     6.80000(10)
_cell_angle_alpha     90
_cell_angle_beta     110.7590(10)
_cell_angle_gamma     90
_cell_volume     969.10(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2662
_cell_measurement_theta_min     2.428
_cell_measurement_theta_max     38.122
_cell_measurement_temperature     296(2)
_exptl_crystal_description     parallelepiped
_exptl_crystal_colour     'orange'
_exptl_crystal_size_max     0.31
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     5.121
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1380
_exptl_absorpt_coefficient_mu     13.093
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_absorpt_correction_T_min     0.5957
_exptl_absorpt_correction_T_max     0.7479
_diffrn_ambient_temperature     296(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     'Bruker X8 APEX'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_reflns_number     30791
_diffrn_reflns_av_R_equivalents     0.0420
_diffrn_reflns_theta_min     2.428
_diffrn_reflns_theta_max     38.122
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -18
_diffrn_reflns_limit_h_max     20
_diffrn_reflns_limit_k_min     -22
_diffrn_reflns_limit_k_max     22
_diffrn_reflns_limit_l_min     -11
_diffrn_reflns_limit_l_max     9
_reflns_number_total     2662
_reflns_number_gt     2437
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0244
_refine_ls_R_factor_gt     0.0208
_refine_ls_wR_factor_gt     0.0468
_refine_ls_wR_factor_ref     0.0479
_refine_ls_goodness_of_fit_ref     1.127
_refine_ls_restrained_S_all     1.127
_refine_ls_number_reflns     2662
_refine_ls_number_parameters     95
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     undef
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0126P)²+4.2342P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.357
_refine_diff_density_min     -2.414
_refine_ls_extinction_method
;
SHELXL2016 (Sheldrick, 2015b)
;
_refine_ls_extinction_coef     0.00163(6)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'V' 'V' 0.3005 0.5294
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Fe' 'Fe' 0.3463 0.8444
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Zn' 'Zn' 0.2839 1.4301
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg,
2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
loop_
    _atom_site_type_symbol
    _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_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ag Ag1 0.500000 0.49090(3) 0.750000 0.02736(7) Uani d 1 . .
    Ag Ag2 0.500000 0.000000 0.500000 0.02115(6) Uani d 1 . .
    Zn Zn2 0.500000 0.23529(2) 0.250000 0.00945(6) Uani d 1 . .
    Zn Zn1 0.29222(2) 0.34062(2) 0.38041(3) 0.00652(5) Uani d 0.5 . .
    Fe Fe1 0.29222(2) 0.34062(2) 0.38041(3) 0.00652(5) Uani d 0.5 . .
    V V1 0.27045(3) 0.38683(2) 0.88206(4) 0.00612(5) Uani d 1 . .
    V V2 0.500000 0.20643(3) 0.750000 0.00602(6) Uani d 1 . .
    O O1 0.12116(12) 0.39616(11) 0.8338(2) 0.0128(2) Uani d 1 . .
    O O2 0.28524(13) 0.31700(11) 0.6746(2) 0.0124(2) Uani d 1 . .
    O O3 0.33803(14) 0.50767(11) 0.8997(2) 0.0139(2) Uani d 1 . .
    O O4 0.33926(12) 0.32576(11) 1.1233(2) 0.0112(2) Uani d 1 . .
    O O5 0.46319(12) 0.27705(11) 0.5152(2) 0.0099(2) Uani d 1 . .
    O O6 0.38484(12) 0.12416(10) 0.7343(2) 0.0115(2) Uani d 1 . .
_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
    Ag1 O3 6_565 2.4699(15) ?
    Ag1 O3 5_667 2.4699(16) ?
    Ag1 O3 2_656 2.4734(16) ?
    Ag1 O3 . 2.4734(16) ?
    Ag2 O6 6 2.4374(14) ?
    Ag2 O6 2_656 2.4374(14) ?
    Ag2 O1 8 2.5032(15) ?
    Ag2 O1 4_546 2.5032(15) ?
    Ag2 O1 3_545 2.5873(14) ?
    Ag2 O1 7_556 2.5873(14) ?
    Zn2 O5 2_655 2.0704(14) ?
    Zn2 O5 . 2.0705(14) ?
    Zn2 O4 2_656 2.1325(13) ?
    Zn2 O4 1_554 2.1325(13) ?
    Zn2 O1 7_556 2.1619(15) ?
    Zn2 O1 8 2.1619(15) ?
    Zn1 O6 7_556 2.0068(14) ?
    Zn1 O4 1_554 2.0222(14) ?
    Zn1 O3 6_565 2.0241(15) ?
    Zn1 O2 . 2.0540(14) ?
    Zn1 O5 . 2.0675(13) ?
    Zn1 O2 7_556 2.2082(15) ?
    V1 O1 . 1.6784(14) ?
    V1 O2 . 1.7343(14) ?
    V1 O3 . 1.7372(15) ?
    V1 O4 . 1.7402(13) ?
    V2 O6 . 1.6984(14) ?
    V2 O6 2_656 1.6984(14) ?
    V2 O5 2_656 1.7544(13) ?
    V2 O5 . 1.7544(13) ?
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
    O3 Ag1 O3 6_565 5_667 179.15(7) ?
    O3 Ag1 O3 6_565 2_656 92.83(5) ?
    O3 Ag1 O3 5_667 2_656 87.10(5) ?
    O3 Ag1 O3 6_565 . 87.10(5) ?
    O3 Ag1 O3 5_667 . 92.83(5) ?
    O3 Ag1 O3 2_656 . 169.95(7) ?
    O6 Ag2 O6 6 2_656 180.00(6) ?
    O6 Ag2 O1 6 8 105.99(5) ?
    O6 Ag2 O1 2_656 8 74.01(5) ?
    O6 Ag2 O1 6 4_546 74.01(5) ?
    O6 Ag2 O1 2_656 4_546 105.99(5) ?
    O1 Ag2 O1 8 4_546 180.00(6) ?
    O6 Ag2 O1 6 3_545 107.39(5) ?
    O6 Ag2 O1 2_656 3_545 72.61(5) ?
    O1 Ag2 O1 8 3_545 116.56(6) ?
    O1 Ag2 O1 4_546 3_545 63.44(6) ?
    O6 Ag2 O1 6 7_556 72.61(5) ?
    O6 Ag2 O1 2_656 7_556 107.39(5) ?
    O1 Ag2 O1 8 7_556 63.44(6) ?
    O1 Ag2 O1 4_546 7_556 116.56(6) ?
    O1 Ag2 O1 3_545 7_556 180.0 ?
    O5 Zn2 O5 2_655 . 149.81(8) ?
    O5 Zn2 O4 2_655 2_656 77.17(5) ?
    O5 Zn2 O4 . 2_656 86.37(5) ?
    O5 Zn2 O4 2_655 1_554 86.37(5) ?
    O5 Zn2 O4 . 1_554 77.17(5) ?
    O4 Zn2 O4 2_656 1_554 113.56(8) ?
    O5 Zn2 O1 2_655 7_556 107.36(5) ?
    O5 Zn2 O1 . 7_556 96.35(6) ?
    O4 Zn2 O1 2_656 7_556 161.31(5) ?
    O4 Zn2 O1 1_554 7_556 85.01(5) ?
    O5 Zn2 O1 2_655 8 96.35(6) ?
    O5 Zn2 O1 . 8 107.36(5) ?
    O4 Zn2 O1 2_656 8 85.01(5) ?
    O4 Zn2 O1 1_554 8 161.31(5) ?
    O1 Zn2 O1 7_556 8 76.52(7) ?
    O6 Zn1 O4 7_556 1_554 104.63(6) ?
    O6 Zn1 O3 7_556 6_565 91.33(6) ?
    O4 Zn1 O3 1_554 6_565 89.94(6) ?
    O6 Zn1 O2 7_556 . 90.95(6) ?
    O4 Zn1 O2 1_554 . 161.09(6) ?
    O3 Zn1 O2 6_565 . 100.52(6) ?
    O6 Zn1 O5 7_556 . 168.70(6) ?
    O4 Zn1 O5 1_554 . 79.73(5) ?
    O3 Zn1 O5 6_565 . 99.16(6) ?
    O2 Zn1 O5 . . 83.05(5) ?
    O6 Zn1 O2 7_556 7_556 80.30(5) ?
    O4 Zn1 O2 1_554 7_556 89.43(5) ?
    O3 Zn1 O2 6_565 7_556 171.16(6) ?
    O2 Zn1 O2 . 7_556 82.59(6) ?
    O5 Zn1 O2 . 7_556 89.40(5) ?
    O1 V1 O2 . . 106.24(7) ?
    O1 V1 O3 . . 111.93(7) ?
    O2 V1 O3 . . 110.32(7) ?
    O1 V1 O4 . . 108.88(7) ?
    O2 V1 O4 . . 112.54(7) ?
    O3 V1 O4 . . 107.01(7) ?
    O6 V2 O6 . 2_656 102.56(10) ?
    O6 V2 O5 . 2_656 108.46(7) ?
    O6 V2 O5 2_656 2_656 109.48(6) ?
    O6 V2 O5 . . 109.48(6) ?
    O6 V2 O5 2_656 . 108.47(7) ?
    O5 V2 O5 2_656 . 117.36(9) ?
