#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:08:21 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224424 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/99/7049945.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_7049945
loop_
_publ_author_name
'Kaczmarek, Anna M.'
'Van Deun, Rik'
'Van Hecke, Kristof'
_publ_section_title
;
 Holmium, thulium and lutetium-octamolybdate
 [Mo₈O₂₈]⁸⁻ 1D chains: luminescence
 investigation of europium doped lutetium-octamolybdate.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8186
_journal_page_last               8192
_journal_paper_doi               10.1039/c9dt00695h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'Ho Mo8 O33 H12, 5(H4N), 8(H2O)'
_chemical_formula_sum            'H48 Ho Mo8 N5 O41'
_chemical_formula_weight         1694.79
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     dual
_audit_creation_date             2019-04-17
_audit_creation_method
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-04-17 deposited with the CCDC.    2019-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                76.253(3)
_cell_angle_beta                 84.980(3)
_cell_angle_gamma                84.373(3)
_cell_formula_units_Z            2
_cell_length_a                   10.5227(4)
_cell_length_b                   12.9748(5)
_cell_length_c                   14.3537(4)
_cell_measurement_reflns_used    12050
_cell_measurement_temperature    100.1(2)
_cell_measurement_theta_max      75.2290
_cell_measurement_theta_min      3.1500
_cell_volume                     1890.22(12)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.1(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4839
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -116.00 -17.00   1.00    2.00    --  -41.68 -38.00 -90.00   99
  2  ω    -66.00  33.00   1.00    2.00    --  -41.68  38.00  90.00   99
  3  ω     23.00  98.00   1.00    2.00    --   41.68-125.00 -60.00   75
  4  ω      1.00  83.00   1.00    2.00    --   41.68 -99.00  60.00   82
  5  ω      9.00 118.00   1.00    2.00    --   41.68  77.00-180.00  109
  6  ω     26.00 110.00   1.00    9.00    --  109.13 -94.00  60.00   84
  7  ω     36.00 106.00   1.00    9.00    --  109.13-125.00-180.00   70
  8  ω     36.00 135.00   1.00    9.00    --  109.13 -45.00 -30.00   99
  9  ω     36.00 117.00   1.00    9.00    --  109.13-125.00  30.00   81
 10  ω     36.00 106.00   1.00    9.00    --  109.13-125.00 -60.00   70
 11  ω     80.00 178.00   1.00    9.00    --  109.13  61.00 120.00   98
 12  ω     83.00 178.00   1.00    9.00    --  109.13  45.00-120.00   95
 13  ω     81.00 178.00   1.00    9.00    --  109.13  30.00-150.00   97
 14  ω    101.00 178.00   1.00    9.00    --  109.13 104.00 -42.00   77
 15  ω     37.00 138.00   1.00    9.00    --  109.13 -61.00 120.00  101
 16  ω     94.00 178.00   1.00    9.00    --  109.13 125.00  60.00   84
 17  ω   -116.00 -17.00   1.00    2.00    --  -41.68 -38.00  90.00   99
 18  ω   -115.00 -14.00   1.00    2.00    --  -41.68 -57.00  30.00  101
 19  ω      9.00 118.00   1.00    2.00    --   41.68  77.00 -90.00  109
 20  ω    -33.00  66.00   1.00    2.00    --   41.68 -38.00 150.00   99
 21  ω      9.00 118.00   1.00    2.00    --   41.68  77.00  60.00  109
 22  ω     81.00 178.00   1.00    9.00    --  109.13  30.00 -60.00   97
 23  ω     80.00 178.00   1.00    9.00    --  109.13  61.00   0.00   98
 24  ω     56.00 178.00   1.00    9.00    --  109.13  15.00  30.00  122
 25  ω     80.00 178.00   1.00    9.00    --  109.13  61.00  90.00   98
 26  ω     80.00 178.00   1.00    9.00    --  109.13  61.00  30.00   98
 27  ω     80.00 178.00   1.00    9.00    --  109.13  61.00 150.00   98
 28  ω     80.00 178.00   1.00    9.00    --  109.13  61.00 -60.00   98
 29  ω     77.00 178.00   1.00    9.00    --  109.13  77.00-180.00  101
 30  ω     80.00 178.00   1.00    9.00    --  109.13  61.00 -30.00   98
 31  ω     80.00 178.00   1.00    9.00    --  109.13  61.00  60.00   98
 32  ω      9.00 104.00   1.00    2.00    --   41.68  77.00 -30.00   95
 33  ω      1.00  83.00   1.00    2.00    --   41.68 -99.00 -30.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1416117000
_diffrn_orient_matrix_UB_12      -0.0232857000
_diffrn_orient_matrix_UB_13      0.0058090000
_diffrn_orient_matrix_UB_21      0.0088760000
_diffrn_orient_matrix_UB_22      -0.0580539000
_diffrn_orient_matrix_UB_23      0.1064088000
_diffrn_orient_matrix_UB_31      -0.0400644000
_diffrn_orient_matrix_UB_32      0.1054756000
_diffrn_orient_matrix_UB_33      0.0301041000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            35880
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.273
_diffrn_reflns_theta_min         3.177
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    25.907
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.833
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.978
_exptl_crystal_description       needle
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.074
_exptl_crystal_size_min          0.042
_refine_diff_density_max         3.234
_refine_diff_density_min         -2.429
_refine_diff_density_rms         0.385
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7644
_refine_ls_number_restraints     330
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0616P)²+110.4941P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1807
_refine_ls_wR_factor_ref         0.1875
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6472
_reflns_number_total             7644
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00695h2.cif
_cod_data_source_block           hopom_redo2
_cod_depositor_comments
'Adding full bibliography for 7049945--7049947.cif.'
_cod_database_code               7049945
_shelx_shelxl_version_number     2018/3
_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.
;
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
;
_olex2_exptl_crystal_mounting_method 'mounted on a nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 5.270
_oxdiff_exptl_absorpt_empirical_full_min 0.478
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
Ho1 Ho 0.42592(10) 0.60222(8) 0.80647(8) 0.0187(2) Uani 1 1 d
Mo1 Mo -0.14490(10) 1.05534(9) 0.45765(7) 0.0149(2) Uani 1 1 d
Mo2 Mo -0.05516(10) 0.81424(9) 0.43691(8) 0.0182(2) Uani 1 1 d
Mo3 Mo -0.09086(10) 0.78981(9) 0.67026(8) 0.0189(2) Uani 1 1 d
Mo4 Mo 0.06191(10) 0.93472(10) 0.77628(8) 0.0190(3) Uani 1 1 d
Mo5 Mo 0.41779(10) 0.91874(9) 0.76531(7) 0.0144(2) Uani 1 1 d
Mo6 Mo 0.60677(10) 0.78035(9) 0.93010(7) 0.0146(2) Uani 1 1 d
Mo7 Mo 0.57564(10) 0.81702(9) 1.15010(7) 0.0147(2) Uani 1 1 d
Mo8 Mo 0.64792(9) 1.04497(8) 1.01228(7) 0.0132(2) Uani 1 1 d
O1 O -0.1103(9) 1.1559(8) 0.3414(7) 0.0162(19) Uani 1 1 d
O2 O -0.1457(9) 1.1393(8) 0.5395(7) 0.0179(19) Uani 1 1 d
O3 O -0.3023(9) 1.0362(8) 0.4603(7) 0.020(2) Uani 1 1 d
O4 O -0.0694(10) 0.9573(8) 0.3632(7) 0.021(2) Uani 1 1 d
O5 O -0.0782(9) 0.9228(8) 0.5397(7) 0.0179(19) Uani 1 1 d
O6 O -0.0225(9) 0.7272(8) 0.5638(7) 0.022(2) Uani 1 1 d
O7 O 0.0325(11) 0.7472(9) 0.3599(8) 0.029(2) Uani 1 1 d
O8 O -0.2105(10) 0.7825(9) 0.4360(8) 0.024(2) Uani 1 1 d
O9 O -0.0561(11) 0.6806(10) 0.7584(8) 0.031(3) Uani 1 1 d
O10 O -0.2530(9) 0.7915(8) 0.6581(7) 0.021(2) Uani 1 1 d
O11 O -0.0988(9) 0.8998(8) 0.7390(7) 0.019(2) Uani 1 1 d
O12 O 0.0819(11) 0.8229(10) 0.8683(8) 0.031(3) Uani 1 1 d
O13 O 0.0001(11) 1.0344(10) 0.8310(8) 0.030(2) Uani 1 1 d
O14 O 0.2454(9) 0.9562(8) 0.7603(7) 0.019(2) Uani 1 1 d
O15 O 0.4826(9) 0.9987(8) 0.6623(7) 0.021(2) Uani 1 1 d
O16 O 0.4200(9) 0.7927(8) 0.7402(7) 0.018(2) Uani 1 1 d
O17 O 0.5959(9) 0.8813(8) 0.8180(7) 0.020(2) Uani 1 1 d
O18 O 0.5574(9) 0.6700(8) 0.8961(7) 0.020(2) Uani 1 1 d
O19 O 0.7666(10) 0.7543(8) 0.9410(7) 0.022(2) Uani 1 1 d
O20 O 0.5844(9) 0.9137(7) 0.9979(6) 0.0130(17) Uani 1 1 d
O21 O 0.5463(9) 0.7245(8) 1.0694(7) 0.0170(19) Uani 1 1 d
O22 O 0.5818(9) 0.9646(8) 1.1534(7) 0.0166(19) Uani 1 1 d
O23 O 0.7347(9) 0.7768(8) 1.1645(7) 0.020(2) Uani 1 1 d
O24 O 0.4989(10) 0.7626(8) 1.2584(7) 0.023(2) Uani 1 1 d
O25 O 0.6121(9) 1.1547(7) 1.0773(6) 0.0151(18) Uani 1 1 d
O26 O 0.6343(8) 1.1191(8) 0.8926(7) 0.0159(18) Uani 1 1 d
O27 O 0.8071(9) 1.0132(8) 1.0188(7) 0.0183(19) Uani 1 1 d
O28 O 0.2873(10) 0.6662(9) 0.9212(8) 0.025(2) Uani 1 1 d
O29 O 0.2935(11) 0.4643(9) 0.8904(10) 0.036(3) Uani 1 1 d
O30 O 0.2498(10) 0.6500(9) 0.7107(9) 0.028(2) Uani 1 1 d
O31 O 0.6025(12) 0.6271(9) 0.6993(9) 0.036(3) Uani 1 1 d
O32 O 0.5665(10) 0.4600(9) 0.8758(9) 0.032(3) Uani 1 1 d
O33 O 0.4277(13) 0.4814(10) 0.7042(10) 0.039(3) Uani 1 1 d
O34 O 0.7174(11) 0.0639(10) 0.7135(9) 0.035(3) Uani 1 1 d
O35 O 0.1800(11) 0.7261(11) 0.1919(10) 0.037(3) Uani 1 1 d
O36 O 0.4521(12) 0.1543(12) 0.4802(9) 0.041(3) Uani 1 1 d
O37 O 0.2262(14) 0.3837(12) 0.6627(11) 0.048(4) Uani 1 1 d
O38 O 0.9770(14) 0.8117(12) 0.0583(9) 0.044(3) Uani 1 1 d
O39 O 0.7988(15) 0.5196(12) 0.9124(13) 0.057(4) Uani 1 1 d
O40 O 0.0461(18) 0.4415(16) 0.8369(16) 0.076(5) Uani 1 1 d
O41 O 0.010(2) 0.5154(16) 0.5965(18) 0.085(6) Uani 1 1 d
O42 O 0.768(2) 0.4653(16) 0.6677(16) 0.088(6) Uani 1 1 d
O43 O 0.495(3) 0.677(2) 0.4570(18) 0.105(8) Uani 1 1 d
O44 O 0.317(4) 0.682(3) 0.515(2) 0.168(13) Uani 1 1 d
O45 O 0.030(3) 0.610(2) 0.958(2) 0.119(9) Uani 1 1 d
O46 O 0.620(3) 0.486(3) 0.550(3) 0.157(13) Uani 1 1 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ho Ho -14.9734 3.7046 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
3 -7 -2 0.0347
-3 7 2 0.0347
4 3 8 0.0603
-4 -3 -8 0.0603
5 3 -5 0.0413
-5 -3 5 0.0010
-3 6 6 0.0192
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O18 Ho1 O16 73.3(3) . .
O18 Ho1 O28 74.6(4) . .
O18 Ho1 O29 117.9(4) . .
O18 Ho1 O30 142.3(4) . .
O18 Ho1 O32 73.9(4) . .
O18 Ho1 O33 142.5(4) . .
O28 Ho1 O16 78.8(3) . .
O28 Ho1 O29 70.8(4) . .
O28 Ho1 O30 83.8(4) . .
O28 Ho1 O33 139.0(4) . .
O29 Ho1 O16 142.0(4) . .
O30 Ho1 O16 72.5(4) . .
O30 Ho1 O29 81.9(4) . .
O30 Ho1 O33 71.0(4) . .
O31 Ho1 O16 74.7(4) . .
O31 Ho1 O18 80.6(4) . .
O31 Ho1 O28 147.9(4) . .
O31 Ho1 O29 140.4(4) . .
O31 Ho1 O30 104.8(5) . .
O31 Ho1 O32 78.8(5) . .
O31 Ho1 O33 71.8(5) . .
O32 Ho1 O16 140.4(3) . .
O32 Ho1 O28 112.6(4) . .
O32 Ho1 O29 74.3(4) . .
O32 Ho1 O30 143.7(4) . .
O32 Ho1 O33 76.3(4) . .
O33 Ho1 O16 120.8(4) . .
O33 Ho1 O29 74.0(5) . .
O1 Mo1 O4 77.4(4) . .
O1 Mo1 O5 76.9(4) . 2_576
O1 Mo1 O5 143.2(4) . .
O2 Mo1 O1 99.1(4) . .
O2 Mo1 O4 158.5(4) . .
O2 Mo1 O5 77.6(4) . 2_576
O2 Mo1 O5 98.7(4) . .
O3 Mo1 O1 105.5(4) . .
O3 Mo1 O2 101.8(5) . .
O3 Mo1 O4 99.5(5) . .
O3 Mo1 O5 177.6(4) . 2_576
O3 Mo1 O5 101.9(5) . .
O4 Mo1 O5 80.9(4) . 2_576
O5 Mo1 O4 74.2(4) . .
O5 Mo1 O5 75.9(4) . 2_576
O4 Mo2 O2 82.0(4) . 2_576
O4 Mo2 O5 72.0(4) . .
O4 Mo2 O6 143.3(4) . .
O5 Mo2 O2 71.0(3) . 2_576
O6 Mo2 O2 77.7(4) . 2_576
O6 Mo2 O5 72.6(4) . .
O7 Mo2 O2 82.6(4) . 2_576
O7 Mo2 O4 103.1(5) . .
O7 Mo2 O5 153.5(5) . .
O7 Mo2 O6 104.1(5) . .
O7 Mo2 O8 104.9(5) . .
O8 Mo2 O2 171.7(4) . 2_576
O8 Mo2 O4 99.6(5) . .
O8 Mo2 O5 101.5(4) . .
O8 Mo2 O6 96.7(5) . .
O5 Mo3 O1 73.4(3) . 2_576
O6 Mo3 O1 82.6(4) . 2_576
O6 Mo3 O5 73.0(4) . .
O9 Mo3 O1 93.1(5) . 2_576
O9 Mo3 O5 163.4(5) . .
O9 Mo3 O6 96.0(5) . .
O9 Mo3 O10 105.2(5) . .
O9 Mo3 O11 101.1(5) . .
O10 Mo3 O1 161.0(4) . 2_576
O10 Mo3 O5 89.3(4) . .
O10 Mo3 O6 100.2(4) . .
O10 Mo3 O11 97.6(5) . .
O11 Mo3 O1 73.3(4) . 2_576
O11 Mo3 O5 84.6(4) . .
O11 Mo3 O6 151.0(4) . .
O4 Mo4 O1 69.3(4) 2_576 2_576
O11 Mo4 O1 72.8(4) . 2_576
O11 Mo4 O4 84.5(4) . 2_576
O11 Mo4 O14 155.3(4) . .
O12 Mo4 O1 94.0(5) . 2_576
O12 Mo4 O4 162.5(5) . 2_576
O12 Mo4 O11 95.8(5) . .
O12 Mo4 O14 93.1(5) . .
O13 Mo4 O1 159.3(5) . 2_576
O13 Mo4 O4 92.0(5) . 2_576
O13 Mo4 O11 97.4(5) . .
O13 Mo4 O12 105.3(6) . .
O13 Mo4 O14 102.3(5) . .
O14 Mo4 O1 83.7(4) . 2_576
O14 Mo4 O4 80.2(4) . 2_576
O14 Mo5 O17 160.5(4) . .
O14 Mo5 O22 85.6(4) . 2_677
O14 Mo5 O25 89.7(4) . 2_677
O15 Mo5 O14 103.5(5) . .
O15 Mo5 O16 105.2(5) . .
O15 Mo5 O17 90.4(4) . .
O15 Mo5 O22 93.5(4) . 2_677
O15 Mo5 O25 157.9(4) . 2_677
O16 Mo5 O14 98.5(4) . .
O16 Mo5 O17 90.7(4) . .
O16 Mo5 O22 159.1(4) . 2_677
O16 Mo5 O25 90.0(4) . 2_677
O17 Mo5 O22 79.9(4) . 2_677
O17 Mo5 O25 73.1(4) . 2_677
O22 Mo5 O25 69.5(3) 2_677 2_677
O17 Mo6 O20 85.0(4) . .
O17 Mo6 O21 150.0(4) . .
O17 Mo6 O25 73.9(4) . 2_677
O18 Mo6 O17 101.0(5) . .
O18 Mo6 O20 155.4(4) . .
O18 Mo6 O21 92.3(4) . .
O18 Mo6 O25 85.0(4) . 2_677
O19 Mo6 O17 103.6(5) . .
O19 Mo6 O18 105.2(5) . .
O19 Mo6 O20 96.4(4) . .
O19 Mo6 O21 98.6(4) . .
O19 Mo6 O25 169.8(4) . 2_677
O20 Mo6 O25 73.7(3) . 2_677
O21 Mo6 O20 72.6(4) . .
O21 Mo6 O25 80.7(4) . 2_677
O20 Mo7 O26 71.1(3) . 2_677
O21 Mo7 O20 72.8(4) . .
O21 Mo7 O22 143.7(4) . .
O21 Mo7 O26 79.6(4) . 2_677
O22 Mo7 O20 72.1(4) . .
O22 Mo7 O26 80.9(4) . 2_677
O23 Mo7 O20 101.0(4) . .
O23 Mo7 O21 97.0(4) . .
O23 Mo7 O22 98.2(5) . .
O23 Mo7 O26 172.0(4) . 2_677
O24 Mo7 O20 154.2(4) . .
O24 Mo7 O21 104.0(5) . .
O24 Mo7 O22 103.7(4) . .
O24 Mo7 O23 104.8(5) . .
O24 Mo7 O26 83.1(4) . 2_677
O20 Mo8 O20 75.4(4) . 2_677
O20 Mo8 O22 74.2(4) . .
O22 Mo8 O20 79.8(3) . 2_677
O25 Mo8 O20 76.7(4) . 2_677
O25 Mo8 O20 142.3(4) . .
O25 Mo8 O22 76.4(4) . .
O26 Mo8 O20 76.8(4) . 2_677
O26 Mo8 O20 98.0(4) . .
O26 Mo8 O22 156.5(4) . .
O26 Mo8 O25 99.7(4) . .
O27 Mo8 O20 103.0(4) . .
O27 Mo8 O20 178.4(4) . 2_677
O27 Mo8 O22 99.9(4) . .
O27 Mo8 O25 104.8(4) . .
O27 Mo8 O26 103.5(4) . .
Mo1 O1 Mo3 112.1(4) . 2_576
Mo1 O1 Mo4 107.7(4) . 2_576
Mo4 O1 Mo3 92.6(3) 2_576 2_576
Mo1 O2 Mo2 114.7(4) . 2_576
Mo1 O4 Mo4 103.9(4) . 2_576
Mo2 O4 Mo1 107.5(4) . .
Mo2 O4 Mo4 148.1(5) . 2_576
Mo1 O5 Mo1 104.1(4) . 2_576
Mo1 O5 Mo2 101.3(4) . .
Mo1 O5 Mo3 152.2(5) . .
Mo2 O5 Mo1 96.6(4) . 2_576
Mo3 O5 Mo1 96.8(3) . 2_576
Mo3 O5 Mo2 94.1(4) . .
Mo2 O6 Mo3 115.0(5) . .
Mo3 O11 Mo4 117.2(5) . .
Mo5 O14 Mo4 156.9(6) . .
Mo5 O16 Ho1 146.0(5) . .
Mo6 O17 Mo5 116.6(5) . .
Mo6 O18 Ho1 148.9(6) . .
Mo6 O20 Mo7 96.5(3) . .
Mo6 O20 Mo8 98.6(3) . 2_677
Mo7 O20 Mo8 96.4(3) . 2_677
Mo8 O20 Mo6 148.5(5) . .
Mo8 O20 Mo7 101.8(4) . .
Mo8 O20 Mo8 104.6(4) . 2_677
Mo7 O21 Mo6 112.9(5) . .
Mo5 O22 Mo8 103.4(4) 2_677 .
Mo7 O22 Mo5 149.1(5) . 2_677
Mo7 O22 Mo8 106.4(4) . .
Mo5 O25 Mo6 91.1(3) 2_677 2_677
Mo8 O25 Mo5 108.3(4) . 2_677
Mo8 O25 Mo6 110.8(4) . 2_677
Mo8 O26 Mo7 115.6(4) . 2_677
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O16 2.425(10) .
Ho1 O18 2.331(10) .
Ho1 O28 2.349(10) .
Ho1 O29 2.401(11) .
Ho1 O30 2.351(10) .
Ho1 O31 2.303(11) .
Ho1 O32 2.331(11) .
Ho1 O33 2.387(12) .
Mo1 O1 1.890(9) .
Mo1 O2 1.780(10) .
Mo1 O3 1.694(9) .
Mo1 O4 2.126(10) .
Mo1 O5 1.945(10) .
Mo1 O5 2.397(10) 2_576
Mo2 O2 2.328(9) 2_576
Mo2 O4 1.904(10) .
Mo2 O5 2.253(10) .
Mo2 O6 1.941(10) .
Mo2 O7 1.718(11) .
Mo2 O8 1.726(11) .
Mo3 O1 2.276(9) 2_576
Mo3 O5 2.230(9) .
Mo3 O6 1.948(10) .
Mo3 O9 1.694(12) .
Mo3 O10 1.728(10) .
Mo3 O11 1.910(10) .
Mo4 O1 2.273(9) 2_576
Mo4 O4 2.154(9) 2_576
Mo4 O11 1.943(10) .
Mo4 O12 1.724(12) .
Mo4 O13 1.715(11) .
Mo4 O14 1.963(10) .
Mo5 O14 1.835(10) .
Mo5 O15 1.720(10) .
Mo5 O16 1.754(10) .
Mo5 O17 2.053(10) .
Mo5 O22 2.120(9) 2_677
Mo5 O25 2.241(9) 2_677
Mo6 O17 1.822(10) .
Mo6 O18 1.755(10) .
Mo6 O19 1.697(10) .
Mo6 O20 2.163(9) .
Mo6 O21 2.027(9) .
Mo6 O25 2.376(9) 2_677
Mo7 O20 2.244(9) .
Mo7 O21 1.917(10) .
Mo7 O22 1.934(9) .
Mo7 O23 1.719(10) .
Mo7 O24 1.714(10) .
Mo7 O26 2.362(9) 2_677
Mo8 O20 2.460(9) 2_677
Mo8 O20 1.951(9) .
Mo8 O22 2.137(9) .
Mo8 O25 1.872(9) .
Mo8 O26 1.769(9) .
Mo8 O27 1.690(10) .
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
3.0029 -6.9900 -1.9994 -0.2741 0.2197 -0.9178
-3.0029 6.9900 1.9994 0.2741 -0.2197 0.9178
4.0058 2.9965 7.9926 -0.5906 0.7121 0.3962
-4.0058 -2.9965 -7.9926 0.5906 -0.7121 -0.3962
4.9988 3.0036 -5.0048 -0.8069 -0.6626 -0.0341
-4.9988 -3.0036 5.0048 0.8069 0.6626 0.0341
-3.0002 5.9890 5.9988 0.3203 0.2640 0.9325
