# 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:  B2H6MgO7 pinnoite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B6CD7_tP64_77_2d_6d_d_ab6d-001

# Last updated on 2024/08/01

data_B8H24Mg4O28
_pd_phase_name B8H24Mg4O28
_cell_length_a  7.6140000000
_cell_length_b  7.6140000000
_cell_length_c  8.1898000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{2}'
_symmetry_Int_Tables_Number  77
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y,x,z+1/2
  4  y,-x,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
O10 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 O 2 a
O11 1.0000000000 0.5000000000 0.5000000000 0.4650000000  Biso 1.0 O 2 b
B1 1.0000000000 0.3833000000 0.3797000000 0.8830000000  Biso 1.0 B 4 d
B2 1.0000000000 0.1080000000 0.1183000000 0.5970000000  Biso 1.0 B 4 d
H3 1.0000000000 0.1380000000 0.4010000000 0.8090000000  Biso 1.0 H 4 d
H4 1.0000000000 0.3640000000 0.1070000000 0.6610000000  Biso 1.0 H 4 d
H5 1.0000000000 0.3080000000 0.1450000000 0.9420000000  Biso 1.0 H 4 d
H6 1.0000000000 0.1880000000 0.3670000000 0.5300000000  Biso 1.0 H 4 d
H7 1.0000000000 0.4720000000 0.3600000000 0.6400000000  Biso 1.0 H 4 d
H8 1.0000000000 0.0300000000 0.1500000000 0.8200000000  Biso 1.0 H 4 d
Mg9 1.0000000000 0.2483000000 0.2509000000 0.2380000000  Biso 1.0 Mg 4 d
O12 1.0000000000 0.2398000000 0.4812000000 0.8130000000  Biso 1.0 O 4 d
O13 1.0000000000 0.2684000000 0.0166000000 0.6490000000  Biso 1.0 O 4 d
O14 1.0000000000 0.3356000000 0.2423000000 0.9940000000  Biso 1.0 O 4 d
O15 1.0000000000 0.1594000000 0.2635000000 0.4770000000  Biso 1.0 O 4 d
O16 1.0000000000 0.4818000000 0.2881000000 0.7400000000  Biso 1.0 O 4 d
O17 1.0000000000 0.0192000000 0.1992000000 0.7330000000  Biso 1.0 O 4 d
