data_VESTA_phase_1
_audit_creation_method	'Created with CONVERT.DLL (www.crystalimpact.com)'
_audit_creation_date	2025-04-29
_audit_update_record	2025-04-29
_chemical_formula_sum	'O96 V24 Sr16.08 Mg16 Na7.92'
_chemical_name_common
;
sm_isp_SD1802453-standardized_unitcell
;
_chemical_formula_weight	4738.427
_cell_length_a	12.6500
_cell_length_b	12.6500
_cell_length_c	12.6500
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	2024.3
_symmetry_int_tables_number	230
_symmetry_space_group_name_H-M	'I a -3 d'
_symmetry_space_group_name_Hall	'-I_4bd_2c_3'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/4-y,3/4+x,1/4+z
3 -x,1/2-y,z
4 1/4+y,1/4-x,3/4+z
5 1/4+x,1/4-z,3/4+y
6 x,-y,1/2-z
7 3/4+x,1/4+z,1/4-y
8 3/4+z,1/4+y,1/4-x
9 1/2-x,y,-z
10 1/4-z,3/4+y,1/4+x
11 z,x,y
12 y,z,x
13 -y,1/2-z,x
14 z,-x,1/2-y
15 1/2-y,z,-x
16 -z,1/2-x,y
17 1/2-z,x,-y
18 y,-z,1/2-x
19 3/4+y,1/4+x,1/4-z
20 1/4-y,1/4-x,1/4-z
21 1/4-x,3/4+z,1/4+y
22 1/4-x,1/4-z,1/4-y
23 1/4+z,1/4-y,3/4+x
24 1/4-z,1/4-y,1/4-x
25 -x,-y,-z
26 1/4+y,3/4-x,1/4-z
27 x,1/2+y,-z
28 1/4-y,1/4+x,3/4-z
29 1/4-x,1/4+z,3/4-y
30 -x,y,1/2+z
31 3/4-x,1/4-z,1/4+y
32 3/4-z,1/4-y,1/4+x
33 1/2+x,-y,z
34 1/4+z,3/4-y,1/4-x
35 -z,-x,-y
36 -y,-z,-x
37 y,1/2+z,-x
38 -z,x,1/2+y
39 1/2+y,-z,x
40 z,1/2+x,-y
41 1/2+z,-x,y
42 -y,z,1/2+x
43 3/4-y,1/4-x,1/4+z
44 1/4+y,1/4+x,1/4+z
45 1/4+x,3/4-z,1/4-y
46 1/4+x,1/4+z,1/4+y
47 1/4-z,1/4+y,3/4-x
48 1/4+z,1/4+y,1/4+x
49 1/2+x,1/2+y,1/2+z
50 3/4-y,1.25000+x,3/4+z
51 1/2-x,1.00000-y,1/2+z
52 3/4+y,3/4-x,1.25000+z
53 3/4+x,3/4-z,1.25000+y
54 1/2+x,1/2-y,1.00000-z
55 1.25000+x,3/4+z,3/4-y
56 1.25000+z,3/4+y,3/4-x
57 1.00000-x,1/2+y,1/2-z
58 3/4-z,1.25000+y,3/4+x
59 1/2+z,1/2+x,1/2+y
60 1/2+y,1/2+z,1/2+x
61 1/2-y,1.00000-z,1/2+x
62 1/2+z,1/2-x,1.00000-y
63 1.00000-y,1/2+z,1/2-x
64 1/2-z,1.00000-x,1/2+y
65 1.00000-z,1/2+x,1/2-y
66 1/2+y,1/2-z,1.00000-x
67 1.25000+y,3/4+x,3/4-z
68 3/4-y,3/4-x,3/4-z
69 3/4-x,1.25000+z,3/4+y
70 3/4-x,3/4-z,3/4-y
71 3/4+z,3/4-y,1.25000+x
72 3/4-z,3/4-y,3/4-x
73 1/2-x,1/2-y,1/2-z
74 3/4+y,1.25000-x,3/4-z
75 1/2+x,1.00000+y,1/2-z
76 3/4-y,3/4+x,1.25000-z
77 3/4-x,3/4+z,1.25000-y
78 1/2-x,1/2+y,1.00000+z
79 1.25000-x,3/4-z,3/4+y
80 1.25000-z,3/4-y,3/4+x
81 1.00000+x,1/2-y,1/2+z
82 3/4+z,1.25000-y,3/4-x
83 1/2-z,1/2-x,1/2-y
84 1/2-y,1/2-z,1/2-x
85 1/2+y,1.00000+z,1/2-x
86 1/2-z,1/2+x,1.00000+y
87 1.00000+y,1/2-z,1/2+x
88 1/2+z,1.00000+x,1/2-y
89 1.00000+z,1/2-x,1/2+y
90 1/2-y,1/2+z,1.00000+x
91 1.25000-y,3/4-x,3/4+z
92 3/4+y,3/4+x,3/4+z
93 3/4+x,1.25000-z,3/4-y
94 3/4+x,3/4+z,3/4+y
95 3/4-z,3/4+y,1.25000-x
96 3/4+z,3/4+y,3/4+x

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
O	?	1.200
V	?	1.200
Sr	?	1.200
Mg	?	1.200
Na	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
O1 O  0.0987  0.2048  0.2882  1.000 96 h ? d Uiso ?
V1 V  0.3750  0.0000  0.2500  1.000 24 d ? d Uiso ?
Sr Sr  0.1250  0.0000  0.2500  0.670 24 c ? d Uiso ?
Mg1 Mg  0.0000  0.0000  0.0000  1.000 16 a ? d Uiso ?
Na Na  0.1250  0.0000  0.2500  0.330 24 c ? d Uiso ?

