# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  Mo8O23

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A8B23_mP124_7_16a_46a-001

# Last updated on 2024/08/01

data_Mo32O92
_pd_phase_name Mo32O92
_cell_length_a  13.3900000000
_cell_length_b  8.0620000000
_cell_length_c  16.8200000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  106.0200000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pc'
_symmetry_Int_Tables_Number  7
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,z+1/2
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Mo10 1.0000000000 0.3149000000 0.2954000000 0.5813000000  Biso 1.0 Mo 2 a
Mo1 1.0000000000 0.9388000000 0.2916000000 0.5812000000  Biso 1.0 Mo 2 a
Mo11 1.0000000000 0.6844000000 0.7936000000 0.9226000000  Biso 1.0 Mo 2 a
Mo12 1.0000000000 0.3155000000 0.7997000000 0.5790000000  Biso 1.0 Mo 2 a
Mo13 1.0000000000 0.5528000000 0.2043000000 0.5985000000  Biso 1.0 Mo 2 a
Mo14 1.0000000000 0.4463000000 0.2060000000 0.9030000000  Biso 1.0 Mo 2 a
Mo15 1.0000000000 0.5530000000 0.7036000000 0.5988000000  Biso 1.0 Mo 2 a
Mo16 1.0000000000 0.4454000000 0.7049000000 0.9019000000  Biso 1.0 Mo 2 a
Mo2 1.0000000000 0.0652000000 0.2923000000 0.9183000000  Biso 1.0 Mo 2 a
Mo3 1.0000000000 0.9351000000 0.7928000000 0.5830000000  Biso 1.0 Mo 2 a
Mo4 1.0000000000 0.0675000000 0.7935000000 0.9153000000  Biso 1.0 Mo 2 a
Mo5 1.0000000000 0.8158000000 0.2087000000 0.7521000000  Biso 1.0 Mo 2 a
Mo6 1.0000000000 0.1824000000 0.2060000000 0.7457000000  Biso 1.0 Mo 2 a
Mo7 1.0000000000 0.8138000000 0.7070000000 0.7552000000  Biso 1.0 Mo 2 a
Mo8 1.0000000000 0.1844000000 0.7049000000 0.7437000000  Biso 1.0 Mo 2 a
Mo9 1.0000000000 0.6846000000 0.2899000000 0.9204000000  Biso 1.0 Mo 2 a
O17 1.0000000000 0.9221000000 0.9989000000 0.5950000000  Biso 1.0 O 2 a
O18 1.0000000000 0.0728000000 0.0012000000 0.9109000000  Biso 1.0 O 2 a
O19 1.0000000000 0.9393000000 0.4990000000 0.5704000000  Biso 1.0 O 2 a
O20 1.0000000000 0.0486000000 0.5048000000 0.9217000000  Biso 1.0 O 2 a
O21 1.0000000000 0.8071000000 0.4912000000 0.7661000000  Biso 1.0 O 2 a
O22 1.0000000000 0.2024000000 0.5040000000 0.7387000000  Biso 1.0 O 2 a
O23 1.0000000000 0.8100000000 0.9971000000 0.7426000000  Biso 1.0 O 2 a
O24 1.0000000000 0.1784000000 0.9960000000 0.7522000000  Biso 1.0 O 2 a
O25 1.0000000000 0.6786000000 0.0082000000 0.9330000000  Biso 1.0 O 2 a
O26 1.0000000000 0.3187000000 0.0060000000 0.5697000000  Biso 1.0 O 2 a
O27 1.0000000000 0.6848000000 0.5000000000 0.9118000000  Biso 1.0 O 2 a
O28 1.0000000000 0.3225000000 0.5067000000 0.5848000000  Biso 1.0 O 2 a
O29 1.0000000000 0.5564000000 0.4978000000 0.5926000000  Biso 1.0 O 2 a
O30 1.0000000000 0.4540000000 0.4885000000 0.9005000000  Biso 1.0 O 2 a
O31 1.0000000000 0.5479000000 0.9891000000 0.5848000000  Biso 1.0 O 2 a
O32 1.0000000000 0.4420000000 0.9974000000 0.9065000000  Biso 1.0 O 2 a
O33 1.0000000000 0.0002000000 0.2505000000 0.0015000000  Biso 1.0 O 2 a
O34 1.0000000000 0.9976000000 0.7900000000 0.0015000000  Biso 1.0 O 2 a
O35 1.0000000000 0.9394000000 0.2467000000 0.8399000000  Biso 1.0 O 2 a
O36 1.0000000000 0.0672000000 0.2429000000 0.6718000000  Biso 1.0 O 2 a
O37 1.0000000000 0.9399000000 0.7542000000 0.8411000000  Biso 1.0 O 2 a
O38 1.0000000000 0.0673000000 0.7428000000 0.6683000000  Biso 1.0 O 2 a
O39 1.0000000000 0.8735000000 0.2707000000 0.6726000000  Biso 1.0 O 2 a
O40 1.0000000000 0.1332000000 0.2776000000 0.8341000000  Biso 1.0 O 2 a
O41 1.0000000000 0.8659000000 0.7186000000 0.6712000000  Biso 1.0 O 2 a
O42 1.0000000000 0.1244000000 0.7130000000 0.8308000000  Biso 1.0 O 2 a
O43 1.0000000000 0.7989000000 0.2464000000 0.5071000000  Biso 1.0 O 2 a
O44 1.0000000000 0.1993500000 0.2582000000 0.0010000000  Biso 1.0 O 2 a
O45 1.0000000000 0.8057000000 0.7351000000 0.5079000000  Biso 1.0 O 2 a
O46 1.0000000000 0.2006000000 0.7476000000 0.9982000000  Biso 1.0 O 2 a
O47 1.0000000000 0.7407000000 0.2437000000 0.8422000000  Biso 1.0 O 2 a
O48 1.0000000000 0.2583000000 0.2290000000 0.6664000000  Biso 1.0 O 2 a
O49 1.0000000000 0.7421000000 0.7718000000 0.8395000000  Biso 1.0 O 2 a
O50 1.0000000000 0.2649000000 0.7823000000 0.6700000000  Biso 1.0 O 2 a
O51 1.0000000000 0.6774000000 0.2545000000 0.6757000000  Biso 1.0 O 2 a
O52 1.0000000000 0.3292000000 0.2316000000 0.8294000000  Biso 1.0 O 2 a
O53 1.0000000000 0.6775000000 0.7445000000 0.6785000000  Biso 1.0 O 2 a
O54 1.0000000000 0.3298000000 0.7512000000 0.8343000000  Biso 1.0 O 2 a
O55 1.0000000000 0.5915000000 0.2580000000 0.9967000000  Biso 1.0 O 2 a
O56 1.0000000000 0.4158000000 0.2620000000 0.5070000000  Biso 1.0 O 2 a
O57 1.0000000000 0.5976000000 0.7451000000 0.0013000000  Biso 1.0 O 2 a
O58 1.0000000000 0.4136000000 0.7398000000 0.5096000000  Biso 1.0 O 2 a
O59 1.0000000000 0.5458000000 0.2477000000 0.8508000000  Biso 1.0 O 2 a
O60 1.0000000000 0.4584000000 0.2337000000 0.6609000000  Biso 1.0 O 2 a
O61 1.0000000000 0.5486000000 0.7444000000 0.8488000000  Biso 1.0 O 2 a
O62 1.0000000000 0.4681000000 0.7539000000 0.6565000000  Biso 1.0 O 2 a
