# CIF file
data_findsym-output
_audit_creation_method FINDSYM
_chemical_name_mineral 'Mo17O47'
_chemical_formula_sum 'Mo17 O47'
loop_
_publ_author_name
'L. Kihlborg'
_journal_name_full_name
;
Acta Chemica Scandinavica
;
_journal_volume 17
_journal_year 1963
_journal_page_first 1485
_journal_page_last 1487
_publ_Section_title
;
Least Squares Refinement of the Structure of Mo$_{17}$O$_{47}$
;
_aflow_title 'Mo$_{17}$O$_{47}$ Structure'
_aflow_proto 'A17B47_oP128_32_a8c_a23c'
_aflow_params 'a,b/a,c/a,z_{1},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11},x_{12},y_{12},z_{12},x_{13},y_{13},z_{13},x_{14},y_{14},z_{14},x_{15},y_{15},z_{15},x_{16},y_{16},z_{16},x_{17},y_{17},z_{17},x_{18},y_{18},z_{18},x_{19},y_{19},z_{19},x_{20},y_{20},z_{20},x_{21},y_{21},z_{21},x_{22},y_{22},z_{22},x_{23},y_{23},z_{23},x_{24},y_{24},z_{24},x_{25},y_{25},z_{25},x_{26},y_{26},z_{26},x_{27},y_{27},z_{27},x_{28},y_{28},z_{28},x_{29},y_{29},z_{29},x_{30},y_{30},z_{30},x_{31},y_{31},z_{31},x_{32},y_{32},z_{32},x_{33},y_{33},z_{33}'
_aflow_params_values '21.61,0.908375751967,0.182832022212,0.579,0.033,0.02398,0.26126,0.586,0.12899,0.11845,0.4177,0.13648,0.39897,0.4329,0.2426,0.25684,0.579,0.28825,0.06556,0.5848,0.38285,0.19333,0.4334,0.38519,0.36637,0.4205,0.46561,0.05514,0.5551,0.0225,0.263,0.027,0.131,0.1206,-0.052,0.1349,0.4038,-0.011,0.2465,0.2532,0.007,0.2882,0.0716,0.003,0.381,0.1938,-0.008,0.3919,0.3568,-0.047,0.4649,0.0579,-0.001,0.0767,0.0429,0.505,0.0612,0.179,0.514,0.093,0.3224,0.521,0.0585,0.4581,0.483,0.2048,0.0683,0.486,0.1788,0.1999,0.503,0.2064,0.3388,0.503,0.1892,0.4792,0.538,0.2969,0.1672,0.49,0.3297,0.2778,0.481,0.3266,0.4217,0.465,0.3764,0.0925,0.494,0.4697,0.1567,0.477,0.4396,0.2746,0.483,0.4595,0.4132,0.481'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP128'
_symmetry_space_group_name_H-M "P b a 2"
_symmetry_Int_Tables_number 32
_cell_length_a 21.61000
_cell_length_b 19.63000
_cell_length_c 3.95100
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x+1/2,y+1/2,z
4 x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo1 Mo 2 a 0.00000 0.00000 0.57900 1.00000
O1 O 2 a 0.00000 0.00000 0.03300 1.00000
Mo2 Mo 4 c 0.02398 0.26126 0.58600 1.00000
Mo3 Mo 4 c 0.12899 0.11845 0.41770 1.00000
Mo4 Mo 4 c 0.13648 0.39897 0.43290 1.00000
Mo5 Mo 4 c 0.24260 0.25684 0.57900 1.00000
Mo6 Mo 4 c 0.28825 0.06556 0.58480 1.00000
Mo7 Mo 4 c 0.38285 0.19333 0.43340 1.00000
Mo8 Mo 4 c 0.38519 0.36637 0.42050 1.00000
Mo9 Mo 4 c 0.46561 0.05514 0.55510 1.00000
O2 O 4 c 0.02250 0.26300 0.02700 1.00000
O3 O 4 c 0.13100 0.12060 -0.05200 1.00000
O4 O 4 c 0.13490 0.40380 -0.01100 1.00000
O5 O 4 c 0.24650 0.25320 0.00700 1.00000
O6 O 4 c 0.28820 0.07160 0.00300 1.00000
O7 O 4 c 0.38100 0.19380 -0.00800 1.00000
O8 O 4 c 0.39190 0.35680 -0.04700 1.00000
O9 O 4 c 0.46490 0.05790 -0.00100 1.00000
O10 O 4 c 0.07670 0.04290 0.50500 1.00000
O11 O 4 c 0.06120 0.17900 0.51400 1.00000
O12 O 4 c 0.09300 0.32240 0.52100 1.00000
O13 O 4 c 0.05850 0.45810 0.48300 1.00000
O14 O 4 c 0.20480 0.06830 0.48600 1.00000
O15 O 4 c 0.17880 0.19990 0.50300 1.00000
O16 O 4 c 0.20640 0.33880 0.50300 1.00000
O17 O 4 c 0.18920 0.47920 0.53800 1.00000
O18 O 4 c 0.29690 0.16720 0.49000 1.00000
O19 O 4 c 0.32970 0.27780 0.48100 1.00000
O20 O 4 c 0.32660 0.42170 0.46500 1.00000
O21 O 4 c 0.37640 0.09250 0.49400 1.00000
O22 O 4 c 0.46970 0.15670 0.47700 1.00000
O23 O 4 c 0.43960 0.27460 0.48300 1.00000
O24 O 4 c 0.45950 0.41320 0.48100 1.00000