# 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:  Gd2(MoO4)3 (beta)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B3C12_tP34_113_e_ae_2e2f-001

# Last updated on 2024/07/29

data_A2B3C12_tP34_113_e_ae_2e2f-001
_pd_phase_name A2B3C12_tP34_113_e_ae_2e2f-001
_cell_length_a  7.3930135293
_cell_length_b  7.3930135293
_cell_length_c  10.6700000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P-42_{1}m'
_symmetry_Int_Tables_Number  113
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  y,-x,-z
  4  -y,x,-z
  5  -x+1/2,y+1/2,-z
  6  x+1/2,-y+1/2,-z
  7  -y+1/2,-x+1/2,z
  8  y+1/2,x+1/2,z
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
Mo1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Mo 2 a
Gd2 1.0000000000 0.6874400000 0.1874400000 0.7376200000  Biso 1.0 Gd 4 e
Mo3 1.0000000000 0.7066300000 0.2066300000 0.3569500000  Biso 1.0 Mo 4 e
O4  1.0000000000 0.6952000000 0.1952000000 0.5195000000  Biso 1.0 O  4 e
O5  1.0000000000 0.1289000000 0.6289000000 0.3109000000  Biso 1.0 O  4 e
O6  1.0000000000 0.0017000000 0.7761000000 0.7005000000  Biso 1.0 O  8 f
O7  1.0000000000 0.9607000000 0.8147000000 0.0955000000  Biso 1.0 O  8 f
