# 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:  Cr2O11Te4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B11C4_mP34_14_e_a5e_2e-001

# Last updated on 2024/08/01

data_Cr2O11Te4
_pd_phase_name Cr1O11Te4
_cell_length_a  7.0160000000
_cell_length_b  7.5450000000
_cell_length_c  9.7280000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  99.6900000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-y+1/2,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
O2  1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 O  2 a
Cr1 1.0000000000 0.1808000000 0.5019000000 0.1158000000  Biso 1.0 Cr 4 e
O3  1.0000000000 0.3420000000 0.6490000000 0.0134000000  Biso 1.0 O  4 e
O4  1.0000000000 0.9370000000 0.6410000000 0.0483000000  Biso 1.0 O  4 e
O5  1.0000000000 0.0320000000 0.3750000000 0.2377000000  Biso 1.0 O  4 e
O6  1.0000000000 0.3730000000 0.3140000000 0.1571000000  Biso 1.0 O  4 e
O7  1.0000000000 0.2950000000 0.6240000000 0.2879000000  Biso 1.0 O  4 e
Te8 1.0000000000 0.3603000000 0.8599000000 0.3238000000  Biso 1.0 Te 4 e
Te9 1.0000000000 0.8277000000 0.8618000000 0.0842000000  Biso 1.0 Te 4 e
