# 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:  Ca2O4Si larnite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B4C_mP28_14_2e_4e_e-001

# Last updated on 2024/08/01

data_Co8O16Si4
_pd_phase_name Co8O16Si4
_cell_length_a  9.3107985168
_cell_length_b  6.7551000000
_cell_length_c  11.1831761946
_cell_angle_alpha  90.0000000000
_cell_angle_beta  150.6107714600
_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
Co1 1.0000000000 0.9227000000 0.5024000000 0.2207000000  Biso 1.0 Co 4 e
Co2 1.0000000000 0.6576000000 0.1574000000 0.2273000000  Biso 1.0 Co 4 e
O3 1.0000000000 0.3428000000 0.9879000000 0.2828000000  Biso 1.0 O 4 e
O4 1.0000000000 0.2131000000 0.2519000000 0.0212000000  Biso 1.0 O 4 e
O5 1.0000000000 0.6248000000 0.3317000000 0.4867000000  Biso 1.0 O 4 e
O6 1.0000000000 0.0836000000 0.3288000000 0.1561000000  Biso 1.0 O 4 e
Si7 1.0000000000 0.3144000000 0.2187000000 0.2328000000  Biso 1.0 Si 4 e
