# 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:  KNa2O15Si6Y moskvinite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C15D6E_oI100_74_e_g_e2hi2j_hj_a-001

# Last updated on 2024/08/01

data_K4Na8O60Si24Y4
_pd_phase_name K4Na8O60Si24Y4
_cell_length_a  8.5530000000
_cell_length_b  14.9700000000
_cell_length_c  10.6230000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Imma'
_symmetry_Int_Tables_Number  74
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y+1/2,z
  3  -x,y+1/2,-z
  4  x,-y,-z
  5  -x,-y,-z
  6  x,y+1/2,-z
  7  x,-y+1/2,z
  8  -x,y,z
  9  x+1/2,y+1/2,z+1/2
  10  -x+1/2,-y,z+1/2
  11  -x+1/2,y,-z+1/2
  12  x+1/2,-y+1/2,-z+1/2
  13  -x+1/2,-y+1/2,-z+1/2
  14  x+1/2,y,-z+1/2
  15  x+1/2,-y,z+1/2
  16  -x+1/2,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
Y11 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Y 4 a
K1 1.0000000000 0.0000000000 0.2500000000 0.8194400000  Biso 1.0 K 4 e
O3 1.0000000000 -0.0000000000 0.2500000000 0.2251000000  Biso 1.0 O 4 e
Na2 1.0000000000 0.2500000000 0.0063600000 0.2500000000  Biso 1.0 Na 8 g
O4 1.0000000000 0.0000000000 0.3788200000 0.5908300000  Biso 1.0 O 8 h
O5 1.0000000000 -0.0000000000 0.9274400000 0.8168900000  Biso 1.0 O 8 h
Si9 1.0000000000 -0.0000000000 0.8499700000 0.7161600000  Biso 1.0 Si 8 h
O6 1.0000000000 0.7948000000 0.2500000000 0.5689900000  Biso 1.0 O 8 i
O7 1.0000000000 0.3477100000 0.8608500000 0.8774000000  Biso 1.0 O 16 j
O8 1.0000000000 0.1914600000 0.9133300000 0.0834500000  Biso 1.0 O 16 j
Si10 1.0000000000 0.3277600000 0.8539700000 0.0299800000  Biso 1.0 Si 16 j
